Geometry & MOs

Info

ID:	79652
PubChem CID:	49829853
Reduced:	ClFN2O5H18C19 (1)
Stoich.:	ABC2D5E18F19 (1)
Weight, g/mol:	414.08497
ΔH_f, kcal/mol:	-125.97
Dipole, Da:	8.83
IP(EA), eV:	-8.81(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-difluorophenyl)-1-(3-methoxyanilino)-3-oxo-1-sulfanylprop-1-en-2-yl]pyridin-1-ium-3-olate

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)C=CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

DOS

IR

Vibrations