Geometry & MOs

Info

ID:	79480
PubChem CID:	49759528
Reduced:	NS2O4C11H15 (1)
Stoich.:	AB2C4D11E15 (1)
Weight, g/mol:	235.087829
ΔH_f, kcal/mol:	-142.43
Dipole, Da:	4.3
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylsulfonylpiperidin-3-yl)acetic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)CC(=O)O

DOS

IR

Vibrations