Geometry & MOs

Info

ID:	194247
PubChem CID:	78503655
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	409.048378
ΔH_f, kcal/mol:	-104.23
Dipole, Da:	6.65
IP(EA), eV:	-9.48(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OCC(=O)NC1=CC=C(C=C1)CC#N)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations