Geometry & MOs

Info

ID:	134145
PubChem CID:	51652572
Reduced:	ClN2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	386.103335
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	3.19
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3S)-3-(5-chloro-2-methylanilino)-2,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations