Geometry & MOs

Info

ID:	11022
PubChem CID:	109976
Reduced:	NNaO3C9H16 (2)
Stoich.:	ABC3D9E16 (2)
Weight, g/mol:	418.205575
ΔH_f, kcal/mol:	-396.56
Dipole, Da:	8.36
IP(EA), eV:	-8.22(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

disodium;2-[2-(carboxylatomethoxy)ethyl-[2-(decanoylamino)ethyl]amino]acetate

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)NCCN(CCOCC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

DOS

IR

Vibrations