Geometry & MOs

Info

ID:	272600
PubChem CID:	103749798
Reduced:	ClN2S2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	214.131742
ΔH_f, kcal/mol:	36.6
Dipole, Da:	1.09
IP(EA), eV:	-8.45(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(3-hydroxybutyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NCCC2=CC=C(S2)Cl)C

DOS

IR

Vibrations