Geometry & MOs
Info
ID: |
449932 |
PubChem CID: |
135302673 |
Reduced: |
NSO3C14H29 (1) |
Stoich.: |
ABC3D14E29 (1) |
Weight, g/mol: |
761.534287 |
ΔHf, kcal/mol: |
-173.56 |
Dipole, Da: |
5.02 |
IP(EA), eV: |
-8.85(0.7) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
4-[4-[(Z)-N-[6-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxycarbonylamino]hexanoylamino]-C-methylcarbonimidoyl]phenoxy]butanoic acid