Geometry & MOs

Info

ID:	166133
PubChem CID:	74642023
Reduced:	ClNSO3H10C14 (1)
Stoich.:	ABCD3E10F14 (1)
Weight, g/mol:	450.134635
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	8.76
IP(EA), eV:	-9.52(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[3-(4-ethoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC(=CC2=CC=CS2)C(=O)O)Cl

DOS

IR

Vibrations