Geometry & MOs

Info

ID:

384623

PubChem CID:

134977348

Reduced:

PS2O4N5C10H12 (1)

Stoich.:

AB2C4D5E10F12 (1)

Weight, g/mol:

587.005132

ΔHf, kcal/mol:

-141.87

Dipole, Da:

2.01

IP(EA), eV:

 -9.18(-2.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;(2R,3S,4R,5R)-2-(dihydroxyphosphinothioyloxymethyl)-5-[6-[[(E)-4-dioxidophosphinothioyloxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations