Geometry & MOs

Info

ID:	81628
PubChem CID:	49854939
Reduced:	BrSO3N4H21C27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	564.0267
ΔH_f, kcal/mol:	2.87
Dipole, Da:	8.36
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=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