Geometry & MOs

Info

ID:	250881
PubChem CID:	103099683
Reduced:	ClNS2O4C10H14 (1)
Stoich.:	ABC2D4E10F14 (1)
Weight, g/mol:	351.036578
ΔH_f, kcal/mol:	-153.62
Dipole, Da:	4.28
IP(EA), eV:	-9.71(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-2-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)N(C)S(=O)(=O)C1=CC(=C(S1)Cl)C

DOS

IR

Vibrations