Geometry & MOs
Info
ID: |
169071 |
PubChem CID: |
75060087 |
Reduced: |
BNOF3C13H18 (1) |
Stoich.: |
ABCD3E13F18 (1) |
Weight, g/mol: |
711.265081 |
ΔHf, kcal/mol: |
-298.92 |
Dipole, Da: |
4.28 |
IP(EA), eV: |
0.0(0.0) |
Spin(Sz, S2): |
0.500000, 0.757319 |
Charge, e: |
0 |
Chem-info
IUPAC name:
[9-fluoro-11-hydroxy-10,13,16-trimethyl-17-[2-[2-(4-nitrooxybutanoylamino)acetyl]oxyacetyl]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-nitrooxybutanoate