Geometry & MOs

Info

ID:	67814
PubChem CID:	46507228
Reduced:	SN2O4H12C17 (1)
Stoich.:	AB2C4D12E17 (1)
Weight, g/mol:	328.031791
ΔH_f, kcal/mol:	-61.31
Dipole, Da:	11.88
IP(EA), eV:	-9.14(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-fluoro-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations