Geometry & MOs

Info

ID:	81626
PubChem CID:	49854937
Reduced:	OS2N9C21H27 (1)
Stoich.:	AB2C9D21E27 (1)
Weight, g/mol:	546.03612
ΔH_f, kcal/mol:	55.04
Dipole, Da:	9.42
IP(EA), eV:	-8.69(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)SC2=NC(=NC(=N2)N3CCN(CC3)C)NC4=NC=C(S4)C

DOS

IR

Vibrations