Geometry & MOs

Info

ID:

336971

PubChem CID:

127256536

Reduced:

PN2Na2O9C13H13 (1)

Stoich.:

AB2C2D9E13F13 (1)

Weight, g/mol:

452.020885

ΔHf, kcal/mol:

-522.74

Dipole, Da:

5.43

IP(EA), eV:

 -8.61(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;2-[[(2R,3S,4S,5R)-5-(5-acetyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]acetate

Drug info:

PubChemData

Smile

C#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(CC(=O)[O-])[O-])O.[Na+].[Na+]

DOS

IR

Vibrations