Geometry & MOs

Info

ID:	301940
PubChem CID:	123101353
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	275.119129
ΔH_f, kcal/mol:	-144.14
Dipole, Da:	1.91
IP(EA), eV:	-8.76(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfinylbutanoic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CS(=O)CCCO

DOS

IR

Vibrations