Geometry & MOs

Info

ID:	366601
PubChem CID:	127320130
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	297.067094
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	6.04
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CC2=CN3C=CC=CC3=N2

DOS

IR

Vibrations