Geometry & MOs

Info

ID:	81522
PubChem CID:	49854824
Reduced:	OSN10C23H32 (1)
Stoich.:	ABC10D23E32 (1)
Weight, g/mol:	571.03137
ΔH_f, kcal/mol:	54.18
Dipole, Da:	6.7
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)NC1=CC=C(C=C1)SC2=NC(=NC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C(C)C

DOS

IR

Vibrations