Geometry & MOs
Info
ID: |
400863 |
PubChem CID: |
135049298 |
Reduced: |
PbN2O2C7H15 (1) |
Stoich.: |
AB2C2D7E15 (1) |
Weight, g/mol: |
426.349781 |
ΔHf, kcal/mol: |
6.43 |
Dipole, Da: |
3.05 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.881871 |
Charge, e: |
0 |
Chem-info
IUPAC name:
(6R,10R,13R,17S)-6-acetyl-10,13-dimethyl-17-octyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one