Geometry & MOs
Info
ID: |
230489 |
PubChem CID: |
87571047 |
Reduced: |
PC40H83 (1) |
Stoich.: |
AB40C83 (1) |
Weight, g/mol: |
695.236445 |
ΔHf, kcal/mol: |
-191.61 |
Dipole, Da: |
2.14 |
IP(EA), eV: |
-8.89(2.96) |
Spin(Sz, S2): |
None, None |
Charge, e: |
0 |
Chem-info
IUPAC name:
[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-[3-(dimethylcarbamoyl)-4-hydroxyphenoxy]benzoate