| Atomic Number |
Atomic Symbol |
Isotope | Isotope Mass |
Isotope Abundance |
Number Atoms |
Mass |
|---|---|---|---|---|---|---|
| 6 | C | 12 | 12.0000 | 98.9000 | 9 | 108.0000 |
| 8 | O | 16 | 15.9949 | 99.7620 | 9 | 143.9542 |
| 26 | Fe | 56 | 55.9349 | 91.7540 | 2 | 111.8699 |
| Total | 20 | 363.8241 | ||||
| Isotopomer Natural Abundance (%) | 74.5938 | |||||
| E | 2C3 | 3C'2 | σh | 2S3 | 3σv |
|---|---|---|---|---|---|
| 20 | 2 | 2 | 6 | 0 | 8 |
| A'1 | A'2 | E' | A''1 | A''2 | E'' |
|---|---|---|---|---|---|
| 5 | 0 | 4 | 0 | 3 | 2 |
| Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer | ||
|---|---|---|---|---|---|---|---|---|---|
| Isotope | Mass | Abundance**** | |||||||
| 1 | C2v | 4 | 3 | C | no | yes | 13C | 364.8275 | 2.4890 |
| 2 | C3v | 6 | 2 | Fe | no | yes | 54Fe 57Fe 58Fe | 361.8288 364.8246 365.8224 | 9.5037 3.4454 0.4585 |
| 3 | C2v | 4 | 3 | O | no | yes | 18O 17O | 365.8283 364.8283 | 0.4486 0.085240 |
| 4 | Cs | 2 | 6 | C | no | yes | 13C | 364.8275 | 4.9780 |
| 5 | Cs | 2 | 6 | O | no | yes | 18O 17O | 365.8283 364.8283 | 0.8973 0.1705 |
| Total Number of Atoms: | 20 | ✅ Correct Number of Atoms found | |||||||
| Replacement | Pattern | Achiral Isomers | Chiral Isomer Pairs |
|---|---|---|---|
| Single | X | 5 | 0 |
| Double | X2 | 21 | 8 |
| Double | XY | 33 | 16 |
| Triple | X3 | 63 | 69 |
| Triple | X2Y | 125 | 227 |
| Triple | XYZ | 188 | 476 |
| Quadruple | X4 | 150 | 342 |
| Quadruple | X3Y | 353 | 1.445 |
| Quadruple | X2Y2 | 450 | 2.220 |
| Quadruple | X2YZ | 653 | 4.523 |
| Quadruple | WXYZ | 900 | 9.240 |
| Quintuple | X5 | 302 | 1.160 |
| Quintuple | VWXYZ | 3.480 | 153.300 |
| Sextuple | X6 | 521 | 3.002 |
| Sextuple | UVWXYZ | 10.200 | 2.320.500 |
| E | 2C3 | 3C'2 | σh | 2S3 | 3σv |
|---|---|---|---|---|---|
| 60 | 0 | -2 | 6 | 0 | 8 |
| A'1 | A'2 | E' | A''1 | A''2 | E'' |
|---|---|---|---|---|---|
| 7 | 4 | 11 | 2 | 7 | 9 |
| Molecular motions and force field analysis |
|---|