Geometry & MOs

Info

ID:	81717
PubChem CID:	49855044
Reduced:	SBr2O3N4H18C26 (1)
Stoich.:	AB2C3D4E18F26 (1)
Weight, g/mol:	582.01728
ΔH_f, kcal/mol:	18.52
Dipole, Da:	3.24
IP(EA), eV:	-9.14(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[8-bromo-3-(3,5-difluorophenyl)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)Br)Br

DOS

IR

Vibrations