Geometry & MOs

Info

ID:	64156
PubChem CID:	29197004
Reduced:	FSO2N3C19H22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	393.143688
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	5.87
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-ethylphenyl)-3-(2-fluoroanilino)-2-(3-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N(C)C

DOS

IR

Vibrations