Geometry & MOs

Info

ID:

384698

PubChem CID:

134977495

Reduced:

SP2N5O8C10H15 (1)

Stoich.:

AB2C5D8E10F15 (1)

Weight, g/mol:

620.020485

ΔHf, kcal/mol:

-424.27

Dipole, Da:

1.71

IP(EA), eV:

 -9.04(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

[[[(2R,3S,5R)-5-(6-amino-2-hexylsulfanylpurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=S)(O)O)O

DOS

IR

Vibrations