Geometry & MOs

Info

ID:	174113
PubChem CID:	75725261
Reduced:	ClN2O5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	495.088325
ΔH_f, kcal/mol:	-188.31
Dipole, Da:	3.94
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2,6-dichlorophenyl)-2-oxoethyl]-N-(3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC(=C(C=C1)O)OC)N(C2=CC(=CC=C2)Cl)C(=O)CO

DOS

IR

Vibrations