Geometry & MOs

Info

ID:	81524
PubChem CID:	49854826
Reduced:	BrSO3N4H21C27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	605.03685
ΔH_f, kcal/mol:	4.77
Dipole, Da:	8.6
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N2C3=CN=C4C=CC(=CC4=C3N(C2=O)C5=CC=C(C=C5)C(C)(C)C#N)Br

DOS

IR

Vibrations