Geometry & MOs

Info

ID:	81714
PubChem CID:	49855041
Reduced:	BrSN4O4H21C28 (1)
Stoich.:	ABC4D4E21F28 (1)
Weight, g/mol:	614.02351
ΔH_f, kcal/mol:	-25.29
Dipole, Da:	6.62
IP(EA), eV:	-9.13(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[8-bromo-2-oxo-3-[3-(trifluoromethyl)phenyl]sulfonylimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(=O)C1=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