Geometry & MOs

Info

ID:	81523
PubChem CID:	49854825
Reduced:	BrSO3N5H18C27 (1)
Stoich.:	ABC3D5E18F27 (1)
Weight, g/mol:	560.05177
ΔH_f, kcal/mol:	51.89
Dipole, Da:	7.13
IP(EA), eV:	-9.09(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[8-bromo-3-(3-methylphenyl)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=C5C#N)Br

DOS

IR

Vibrations