Geometry & MOs

Info

ID:	349706
PubChem CID:	127275858
Reduced:	NOSC7H11 (2)
Stoich.:	ABCD7E11 (2)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-85.2
Dipole, Da:	3.98
IP(EA), eV:	-8.92(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxole-5-carbonyl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)CSCC2CCCCO2

DOS

IR

Vibrations