Geometry & MOs

Info

ID:

338302

PubChem CID:

127258994

Reduced:

Na2P2N5C10O10H11 (1)

Stoich.:

A2B2C5D10E10F11 (1)

Weight, g/mol:

512.982776

ΔHf, kcal/mol:

-624.16

Dipole, Da:

7.48

IP(EA), eV:

 -9.3(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolan-3-olate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@@H](C=O)O[C@H](COP(=O)([O-])OP(=O)(O)[O-])C=O)N.[Na+].[Na+]

DOS

IR

Vibrations