Geometry & MOs

Info

ID:	67818
PubChem CID:	46507234
Reduced:	FSN2O4H11C17 (1)
Stoich.:	ABC2D4E11F17 (1)
Weight, g/mol:	361.992819
ΔH_f, kcal/mol:	-106.9
Dipole, Da:	9.98
IP(EA), eV:	-9.24(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloro-4-oxo-1H-quinolin-3-yl)sulfonyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C(C2=O)S(=O)(=O)C3=CC(=C(C=C3)C#N)F

DOS

IR

Vibrations