Geometry & MOs
Info
ID: |
228331 |
PubChem CID: |
87563973 |
Reduced: |
OSiC9H11 (1) |
Stoich.: |
ABC9D11 (1) |
Weight, g/mol: |
458.375995 |
ΔHf, kcal/mol: |
8.12 |
Dipole, Da: |
3.81 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751752 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(2R)-2-[(1R,3aR,5aR,5bR,7aR,11aR,11bR,13aR,13bR)-9,9-dihydroxy-3a,5a,5b,8,8,11a-hexamethyl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysen-1-yl]propanal