Geometry & MOs
Info
ID: |
447063 |
PubChem CID: |
135279955 |
Reduced: |
FNO2C15H22 (1) |
Stoich.: |
ABC2D15E22 (1) |
Weight, g/mol: |
818.46368 |
ΔHf, kcal/mol: |
-127.36 |
Dipole, Da: |
2.13 |
IP(EA), eV: |
-8.8(-0.06) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
(1S,3R)-3-[[(3aR,5aR,5bR,9S,11aR,11bR,13aS)-3a-[[2-[(4-chlorobenzoyl)amino]-2-methylpropanoyl]amino]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxycarbonyl]-2,2-dimethylcyclobutane-1-carboxylic acid