Geometry & MOs

Info

ID:	280510
PubChem CID:	103849663
Reduced:	ClNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	216.111007
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	2.98
IP(EA), eV:	-8.79(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-hydroxy-3-methoxypropyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)C(CO)SC)Cl

DOS

IR

Vibrations