Geometry & MOs

Info

ID:	67805
PubChem CID:	46507200
Reduced:	FSN2O3H9C16 (1)
Stoich.:	ABC2D3E9F16 (1)
Weight, g/mol:	344.002241
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	9.06
IP(EA), eV:	-10.01(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)S(=O)(=O)C2=CNC3=C(C2=O)C=CC(=C3)F)C#N

DOS

IR

Vibrations