Geometry & MOs

Info

ID:	251017
PubChem CID:	103100866
Reduced:	ClN2O2S2C14H21 (1)
Stoich.:	AB2C2D2E14F21 (1)
Weight, g/mol:	336.073298
ΔH_f, kcal/mol:	-44.11
Dipole, Da:	5.02
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCCC(C2)CNC3CC3)Cl

DOS

IR

Vibrations