Geometry & MOs

Info

ID:	163234
PubChem CID:	57654981
Reduced:	OSC4H9 (2)
Stoich.:	ABC4D9 (2)
Weight, g/mol:	391.306239
ΔH_f, kcal/mol:	-124.15
Dipole, Da:	4.39
IP(EA), eV:	-9.6(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[methyl(octadecanoyl)amino]propanoate

Drug info:

PubChemData

Smile

CCCCC(CC)CS(=O)(=S)O

DOS

IR

Vibrations