Geometry & MOs

Info

ID:	67802
PubChem CID:	46507197
Reduced:	ClSN2O3H9C16 (1)
Stoich.:	ABC2D3E9F16 (1)
Weight, g/mol:	328.031791
ΔH_f, kcal/mol:	-32.87
Dipole, Da:	9.18
IP(EA), eV:	-9.97(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-fluoro-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)Cl)C#N

DOS

IR

Vibrations