Geometry & MOs
Info
ID: |
443858 |
PubChem CID: |
135260176 |
Reduced: |
OC18H34 (1) |
Stoich.: |
AB18C34 (1) |
Weight, g/mol: |
544.314852 |
ΔHf, kcal/mol: |
-104.81 |
Dipole, Da: |
3.55 |
IP(EA), eV: |
-10.04(0.0) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
2-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]piperazine-1-carboxylic acid