Geometry & MOs

Info

ID:	164454
PubChem CID:	74402062
Reduced:	N9C20H23 (1)
Stoich.:	A9B20C23 (1)
Weight, g/mol:	429.041327
ΔH_f, kcal/mol:	143.66
Dipole, Da:	4.32
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-5-oxo-2-[4-(trifluoromethyl)phenyl]sulfonylhexanenitrile

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=NCC2=CC=CC=N2)NC#N)C3=NC=NC4=C3C(=CN4)C

DOS

IR

Vibrations