Geometry & MOs

Info

ID:	279949
PubChem CID:	103845876
Reduced:	O4C11H14 (1)
Stoich.:	A4B11C14 (1)
Weight, g/mol:	209.035794
ΔH_f, kcal/mol:	-143.59
Dipole, Da:	3.13
IP(EA), eV:	-10.63(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-methylsulfonylpropanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)C1=CC=C(O1)C(=O)O

DOS

IR

Vibrations