| Atomic Number |
Atomic Symbol |
Isotope | Isotope Mass |
Isotope Abundance |
Number Atoms |
Mass |
|---|---|---|---|---|---|---|
| 6 | C | 12 | 12.0000 | 98.9000 | 5 | 60.0000 |
| 8 | O | 16 | 15.9949 | 99.7620 | 5 | 79.9746 |
| 26 | Fe | 56 | 55.9349 | 91.7540 | 1 | 55.9349 |
| Total | 11 | 195.9095 | ||||
| Isotopomer Natural Abundance (%) | 85.7891 | |||||
| E | 2C3 | 3C'2 | σh | 2S3 | 3σv |
|---|---|---|---|---|---|
| 11 | 5 | 3 | 7 | 1 | 7 |
| A'1 | A'2 | E' | A''1 | A''2 | E'' |
|---|---|---|---|---|---|
| 5 | 0 | 2 | 0 | 2 | 0 |
| Atom Set* | Site Symmetry** | h(Site Symmetry) | Identical Atoms*** | Element | Chrial | Polar | Isotopomer | ||
|---|---|---|---|---|---|---|---|---|---|
| Isotope | Mass | Abundance**** | |||||||
| 1 | D3h | 12 | 1 | Fe | no | no | 54Fe 57Fe 58Fe | 193.9142 196.9100 197.9078 | 5.4650 1.9812 0.2637 |
| 2 | C2v | 4 | 3 | C | no | yes | 13C | 196.9129 | 2.8625 |
| 3 | C3v | 6 | 2 | C | no | yes | 13C | 196.9129 | 1.9084 |
| 4 | C2v | 4 | 3 | O | no | yes | 18O 17O | 197.9138 196.9137 | 0.5160 0.098033 |
| 5 | C3v | 6 | 2 | O | no | yes | 18O 17O | 197.9138 196.9137 | 0.3440 0.065355 |
| Total Number of Atoms: | 11 | ✅ Correct Number of Atoms found | |||||||
| Replacement | Pattern | Achiral Isomers | Chiral Isomer Pairs |
|---|---|---|---|
| Single | X | 5 | 0 |
| Double | X2 | 16 | 0 |
| Double | XY | 28 | 0 |
| Triple | X3 | 34 | 2 |
| Triple | X2Y | 80 | 10 |
| Triple | XYZ | 140 | 24 |
| Quadruple | X4 | 53 | 8 |
| Quadruple | X3Y | 150 | 46 |
| Quadruple | X2Y2 | 198 | 80 |
| Quadruple | X2YZ | 336 | 178 |
| Quadruple | WXYZ | 560 | 400 |
| Quintuple | X5 | 67 | 14 |
| Quintuple | VWXYZ | 1.680 | 3.800 |
| Sextuple | X6 | 67 | 14 |
| Sextuple | UVWXYZ | 3.360 | 26.040 |
| E | 2C3 | 3C'2 | σh | 2S3 | 3σv |
|---|---|---|---|---|---|
| 33 | 0 | -3 | 7 | -2 | 7 |
| A'1 | A'2 | E' | A''1 | A''2 | E'' |
|---|---|---|---|---|---|
| 4 | 2 | 7 | 0 | 5 | 4 |
| Molecular motions and force field analysis |
|---|