Geometry & MOs
Info
ID: |
231394 |
PubChem CID: |
87573616 |
Reduced: |
SiO4C20H35 (1) |
Stoich.: |
AB4C20D35 (1) |
Weight, g/mol: |
514.345838 |
ΔHf, kcal/mol: |
-179.92 |
Dipole, Da: |
5.01 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751185 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3a-carbonofluoridoyl-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate