Geometry & MOs

Info

ID:	366260
PubChem CID:	127319717
Reduced:	NSO5C14H25 (1)
Stoich.:	ABC5D14E25 (1)
Weight, g/mol:	394.119858
ΔH_f, kcal/mol:	-247.4
Dipole, Da:	2.33
IP(EA), eV:	-9.63(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxole-5-carbonyl)-N-(1,1-dioxothian-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCS(=O)(=O)C1)OCC2CCCCO2

DOS

IR

Vibrations