Geometry & MOs

Info

ID:	70062
PubChem CID:	47207224
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	285.067094
ΔH_f, kcal/mol:	-122.97
Dipole, Da:	4.06
IP(EA), eV:	-9.61(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-ethylsulfonylacetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(=O)NC(C)C1=CC=CC=C1

DOS

IR

Vibrations