Geometry & MOs

Info

ID:	81716
PubChem CID:	49855043
Reduced:	BrSN4O4H21C27 (1)
Stoich.:	ABC4D4E21F27 (1)
Weight, g/mol:	625.94459
ΔH_f, kcal/mol:	-24.58
Dipole, Da:	1.52
IP(EA), eV:	-9.07(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)S(=O)(=O)C5=CC=CC(=C5)OC)Br

DOS

IR

Vibrations