Geometry & MOs

Info

ID:

224045

PubChem CID:

85337495

Reduced:

SF3N3O5C23H26 (1)

Stoich.:

AB3C3D5E23F26 (1)

Weight, g/mol:

511.237016

ΔHf, kcal/mol:

-313.96

Dipole, Da:

3.22

IP(EA), eV:

 -9.4(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] N-phenylcarbamate

Drug info:

PubChemData

Smile

CC(C)CN1C2C(C(=C(S2)CC3=CC=CC=C3C(F)(F)F)C(=O)N4CC(CO4)O)C(=O)N(C1=O)C

DOS

IR

Vibrations