Geometry & MOs

Info

ID:	54454
PubChem CID:	17388702
Reduced:	NSC2K2H3O5 (1)
Stoich.:	ABC2D2E3F5 (1)
Weight, g/mol:	337.144471
ΔH_f, kcal/mol:	-320.52
Dipole, Da:	5.58
IP(EA), eV:	-8.63(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(piperidin-1-ylmethyl)-3,7,8,9-tetrahydro-2H-benzo[g][1,4]benzodioxin-6-one;hydrochloride

Drug info:

PubChemData

Smile

C(C(=O)[O-])NS(=O)(=O)[O-].[K+].[K+]

DOS

IR

Vibrations