Geometry & MOs

Info

ID:	67817
PubChem CID:	46507233
Reduced:	SF2N2O3H8C16 (1)
Stoich.:	AB2C2D3E8F16 (1)
Weight, g/mol:	358.042356
ΔH_f, kcal/mol:	-115.62
Dipole, Da:	9.0
IP(EA), eV:	-10.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[(6-methoxy-4-oxo-1H-quinolin-3-yl)sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)NC=C(C2=O)S(=O)(=O)C3=CC(=C(C=C3)C#N)F

DOS

IR

Vibrations