Geometry & MOs

Info

ID:	134977
PubChem CID:	51791747
Reduced:	ClN3O3C31H34 (1)
Stoich.:	AB3C3D31E34 (1)
Weight, g/mol:	391.166269
ΔH_f, kcal/mol:	-89.55
Dipole, Da:	3.97
IP(EA), eV:	-9.18(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(E,2S)-1-(butylamino)-1-oxopent-3-en-2-yl]-N-(2-chlorophenyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[C@H](C(=O)NC2CCCCC2)N(C3=CC=CC=C3Cl)C(=O)CNC(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations