Geometry & MOs

Info

ID:

187228

PubChem CID:

77547446

Reduced:

SN2O2C22H28 (1)

Stoich.:

AB2C2D22E28 (1)

Weight, g/mol:

826.410369

ΔHf, kcal/mol:

-66.45

Dipole, Da:

4.16

IP(EA), eV:

 -8.46(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;[9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] acetate

Drug info:

PubChemData

Smile

CCC(C(C)C1=CC2=C(C=C1)C=CN2)NS(=O)(=O)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations