Geometry & MOs

Info

ID:	5573
PubChem CID:	13348
Reduced:	NNaO5C9H16 (1)
Stoich.:	ABC5D9E16 (1)
Weight, g/mol:	241.092617
ΔH_f, kcal/mol:	-295.4
Dipole, Da:	10.83
IP(EA), eV:	-9.51(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3-[(2,4-dihydroxy-4-methylpentanoyl)amino]propanoate

Drug info:

PubChemData

Smile

CC(C)(CC(C(=O)NCCC(=O)[O-])O)O.[Na+]

DOS

IR

Vibrations