Geometry & MOs

Info

ID:	261261
PubChem CID:	103224450
Reduced:	SO5C7H14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	230.126657
ΔH_f, kcal/mol:	-227.18
Dipole, Da:	6.99
IP(EA), eV:	-10.73(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-carbamoylpiperidin-1-yl)-3-methoxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)C(COC)C(=O)O

DOS

IR

Vibrations