Geometry & MOs

Info

ID:	250983
PubChem CID:	103100576
Reduced:	ClNS2O4C9H12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	337.020928
ΔH_f, kcal/mol:	-148.06
Dipole, Da:	5.62
IP(EA), eV:	-9.54(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC(C)C(=O)OC)Cl

DOS

IR

Vibrations