Geometry & MOs

Info

ID:	5447
PubChem CID:	13170
Reduced:	PNa2C4O6H9 (2)
Stoich.:	AB2C4D6E9 (2)
Weight, g/mol:	459.986427
ΔH_f, kcal/mol:	-868.43
Dipole, Da:	5.22
IP(EA), eV:	-8.62(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetrasodium;1,5-dihydroxypentan-3-yl phosphate;2,3-dihydroxypropyl phosphate

Drug info:

PubChemData

Smile

C(CO)C(CCO)OP(=O)([O-])[O-].C(C(COP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations