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 |
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