Geometry & MOs

Info

ID:	81435
PubChem CID:	49854722
Reduced:	F3O3N4C21H25 (1)
Stoich.:	A3B3C4D21E25 (1)
Weight, g/mol:	630.01842
ΔH_f, kcal/mol:	-243.73
Dipole, Da:	2.01
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C(=O)C=C(N=C2N([C@@H]1C(F)(F)F)CC(CC3=CC=CC=C3)O)N4CCOCC4

DOS

IR

Vibrations