Geometry & MOs

Info

ID:	139940
PubChem CID:	52620048
Reduced:	N3O4C21H23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	391.085432
ΔH_f, kcal/mol:	-119.3
Dipole, Da:	4.79
IP(EA), eV:	-8.8(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dichlorophenyl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NC1=CC=CC=C1NC(=O)/C=C/C2=CC=C(C=C2)C(=O)OC

DOS

IR

Vibrations