Geometry & MOs
Info
ID: |
407276 |
PubChem CID: |
135079731 |
Reduced: |
NOC14H17 (1) |
Stoich.: |
ABC14D17 (1) |
Weight, g/mol: |
538.3593 |
ΔHf, kcal/mol: |
-11.98 |
Dipole, Da: |
2.3 |
IP(EA), eV: |
-9.8(-0.92) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
O-[[(4aR,6aS,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-3,4,5,6,6a,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picen-4a-yl]methyl] imidazole-1-carbothioate