Geometry & MOs
Info
ID: |
163432 |
PubChem CID: |
57939614 |
Reduced: |
N2O4C11H20 (1) |
Stoich.: |
A2B4C11D20 (1) |
Weight, g/mol: |
660.450223 |
ΔHf, kcal/mol: |
-203.56 |
Dipole, Da: |
1.84 |
IP(EA), eV: |
-9.7(0.51) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
3-[[4-[[[(1R,3aS,5aR,5bR,9S,11aR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]methyl]benzoyl]amino]propanoic acid