Geometry & MOs

Info

ID:

336398

PubChem CID:

127255405

Reduced:

Na2P2N5O14C15H23 (1)

Stoich.:

A2B2C5D14E15F23 (1)

Weight, g/mol:

548.980371

ΔHf, kcal/mol:

-594.45

Dipole, Da:

6.29

IP(EA), eV:

 -4.55(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-(phosphonomethyl)phosphinate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](C=O)O)O)O)O)O)N.[Na].[Na]

DOS

IR

Vibrations