Geometry & MOs

Info

ID:	55069
PubChem CID:	17389726
Reduced:	ClSO2N3C11H14 (1)
Stoich.:	ABC2D3E11F14 (1)
Weight, g/mol:	326.9115
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	7.83
IP(EA), eV:	-9.23(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromothiophen-2-yl)piperidine;hydrobromide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NS(=O)(=O)C3=CC=CC=C32.Cl

DOS

IR

Vibrations