Geometry & MOs

Info

ID:	67816
PubChem CID:	46507231
Reduced:	ClSN3O4C15H16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	346.02237
ΔH_f, kcal/mol:	-102.93
Dipole, Da:	9.2
IP(EA), eV:	-9.59(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C\N(C)C)/S(=O)(=O)C1=NC2=CC=CC=C2N=C1Cl

DOS

IR

Vibrations