Geometry & MOs

Info

ID:

340800

PubChem CID:

127263235

Reduced:

N3Na3P3C9H13O14 (1)

Stoich.:

A3B3C3D9E13F14 (1)

Weight, g/mol:

551.943651

ΔHf, kcal/mol:

-1011.45

Dipole, Da:

10.31

IP(EA), eV:

 -9.44(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)([O-])OP(=O)([O-])[O-])O)O.[Na+].[Na+].[Na+]

DOS

IR

Vibrations