Geometry & MOs

Info

ID:

80512

PubChem CID:

49834862

Reduced:

NO2C18H31 (1)

Stoich.:

AB2C18D31 (1)

Weight, g/mol:

608.204416

ΔHf, kcal/mol:

-121.97

Dipole, Da:

4.15

IP(EA), eV:

 -9.49(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(10S,11S,13S,17S)-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-phenoxybenzoic acid

Drug info:

PubChemData

Smile

CCCCCCC/C=C/C=C/C(=O)NC1CCC(CC1)O

DOS

IR

Vibrations