Geometry & MOs

Info

ID:	81777
PubChem CID:	49855137
Reduced:	FON9C22H22 (1)
Stoich.:	ABC9D22E22 (1)
Weight, g/mol:	516.102289
ΔH_f, kcal/mol:	40.79
Dipole, Da:	4.89
IP(EA), eV:	-8.44(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[8-chloro-3-(3-methylphenyl)sulfonyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=CC=C(C=C3)F)NC4=NNC(=C4)C

DOS

IR

Vibrations