Geometry & MOs
Info
ID: |
147891 |
PubChem CID: |
53787550 |
Reduced: |
NSO2C29H54 (1) |
Stoich.: |
ABC2D29E54 (1) |
Weight, g/mol: |
570.229882 |
ΔHf, kcal/mol: |
-150.16 |
Dipole, Da: |
4.06 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.852390 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[2-[(8S,9S,10R,13S,14S,17R)-6-fluoro-11-hydroxy-10,13-dimethyl-3-oxo-17-pentoxycarbonyloxy-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methanesulfonate