Geometry & MOs

Info

ID:	251012
PubChem CID:	103100845
Reduced:	NCl2O2S2C12H17 (1)
Stoich.:	AB2C2D2E12F17 (1)
Weight, g/mol:	326.992126
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	6.63
IP(EA), eV:	-9.53(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methylpiperidine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCCCCC2CCl)Cl

DOS

IR

Vibrations