Geometry & MOs

Info

ID:

83062

PubChem CID:

49857082

Reduced:

Na4P4N10O15C22H28 (1)

Stoich.:

A4B4C10D15E22F28 (1)

Weight, g/mol:

800.099908

ΔHf, kcal/mol:

-1082.15

Dipole, Da:

4.1

IP(EA), eV:

 -9.04(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-[[[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methyl-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(CP(=O)([O-])OP(=O)(CP(=O)([O-])OC[C@@H]4[C@H](C[C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)[O-])[O-])O.[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations