Geometry & MOs

Info

ID:	250844
PubChem CID:	103099450
Reduced:	ClN2O2S2C10H15 (1)
Stoich.:	AB2C2D2E10F15 (1)
Weight, g/mol:	336.073298
ΔH_f, kcal/mol:	-54.76
Dipole, Da:	5.77
IP(EA), eV:	-9.09(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCCNCC2)Cl

DOS

IR

Vibrations