Geometry & MOs

Info

ID:	55068
PubChem CID:	17389725
Reduced:	ClN3O3C10H12 (1)
Stoich.:	AB3C3D10E12 (1)
Weight, g/mol:	287.049526
ΔH_f, kcal/mol:	-67.48
Dipole, Da:	5.79
IP(EA), eV:	-9.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperazin-1-yl-1,2-benzothiazole 1,1-dioxide;hydrochloride

Drug info:

PubChemData

Smile

CCC1=C(C(=NO1)C(=O)O)CC2=CNN=C2.Cl

DOS

IR

Vibrations