Geometry & MOs

Info

ID:	268360
PubChem CID:	103599081
Reduced:	NSO4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	252.09102
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	6.6
IP(EA), eV:	-9.22(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluoro-2-nitrophenyl)-N-propan-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC(=O)NS(=O)(=O)C2=CC=CC(=C2)OC

DOS

IR

Vibrations