Geometry & MOs

Info

ID:	81713
PubChem CID:	49855040
Reduced:	OSN10C21H28 (1)
Stoich.:	ABC10D21E28 (1)
Weight, g/mol:	588.04669
ΔH_f, kcal/mol:	55.16
Dipole, Da:	8.48
IP(EA), eV:	-8.54(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCN(CC3)C)NC4=NC=C(S4)C

DOS

IR

Vibrations