Geometry & MOs

Info

ID:	378222
PubChem CID:	134224298
Reduced:	FSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	361.111422
ΔH_f, kcal/mol:	-184.67
Dipole, Da:	3.8
IP(EA), eV:	-9.67(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[3-(2-fluorophenyl)-3-oxoprop-1-en-2-yl]anilino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C=O)NC(=O)[C@H](C(=C)C)NS(=O)(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations