Geometry & MOs

Info

ID:

144289

PubChem CID:

53345058

Reduced:

O2N4C21H26 (1)

Stoich.:

A2B4C21D26 (1)

Weight, g/mol:

704.267348

ΔHf, kcal/mol:

-60.84

Dipole, Da:

7.04

IP(EA), eV:

 -9.32(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(4-carbamoylphenyl)phenyl]-4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC=C3N2C(CNC3=O)CC(=O)NC4CCCCC4

DOS

IR

Vibrations