Geometry & MOs

Info

ID:	365242
PubChem CID:	127317587
Reduced:	N2S2O3C13H24 (1)
Stoich.:	A2B2C3D13E24 (1)
Weight, g/mol:	336.114378
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	7.12
IP(EA), eV:	-8.57(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(thian-4-ylmethylamino)ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NCC1CCSCC1)C2CCS(=O)(=O)C2

DOS

IR

Vibrations