Geometry & MOs

Info

ID:

222934

PubChem CID:

85333271

Reduced:

SO3N4F6H22C32 (1)

Stoich.:

AB3C4D6E22F32 (1)

Weight, g/mol:

657.22188

ΔHf, kcal/mol:

-289.18

Dipole, Da:

2.39

IP(EA), eV:

 -9.15(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[4-[17-hydroxy-13-methyl-17-[2-(4-methylsulfonylphenyl)ethynyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]methylideneamino] ethylsulfanylformate

Drug info:

PubChemData

Smile

CC1CN(C(=O)C2=C(C3=C(C(=O)N2C1)N=C(C=C3)C(=O)C4=NC=CS4)C5=CC=CC=C5)CC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations