Geometry & MOs
Info
ID: |
150885 |
PubChem CID: |
53790582 |
Reduced: |
NSiO3C6H14 (1) |
Stoich.: |
ABC3D6E14 (1) |
Weight, g/mol: |
638.527411 |
ΔHf, kcal/mol: |
-74.04 |
Dipole, Da: |
2.57 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.751868 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(8S,9S,10R,13R,14S,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] 11-(2-methylprop-2-enoyloxy)undecanoate