Geometry & MOs
Info
ID: |
231439 |
PubChem CID: |
87573714 |
Reduced: |
NSF3O3C12H18 (1) |
Stoich.: |
ABC3D3E12F18 (1) |
Weight, g/mol: |
456.340359 |
ΔHf, kcal/mol: |
-291.49 |
Dipole, Da: |
4.86 |
IP(EA), eV: |
-9.05(-0.85) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carbonyl fluoride