Geometry & MOs

Info

ID:	27072
PubChem CID:	814263
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	333.078327
ΔH_f, kcal/mol:	-42.27
Dipole, Da:	8.01
IP(EA), eV:	-8.79(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations