Geometry & MOs

Info

ID:	250984
PubChem CID:	103100591
Reduced:	ClNS2O4C12H16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	337.020928
ΔH_f, kcal/mol:	-154.94
Dipole, Da:	3.08
IP(EA), eV:	-9.45(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations