Geometry & MOs

Info

ID:	60908
PubChem CID:	26703035
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	287.078013
ΔH_f, kcal/mol:	-120.94
Dipole, Da:	4.33
IP(EA), eV:	-8.79(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-fluoro-4-methylphenyl)-3-phenylsulfanylprop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations