Geometry & MOs

Info

ID:	178545
PubChem CID:	76346723
Reduced:	NSO4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	433.18017
ΔH_f, kcal/mol:	-173.89
Dipole, Da:	2.2
IP(EA), eV:	-8.59(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)-N-methylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC(=CC=C1)OCCS(=O)(=O)C)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations