Geometry & MOs

Info

ID:

434115

PubChem CID:

135174273

Reduced:

P2S2F3O9N10C20H25 (1)

Stoich.:

A2B2C3D9E10F20G25 (1)

Weight, g/mol:

724.063474

ΔHf, kcal/mol:

-528.83

Dipole, Da:

9.72

IP(EA), eV:

 -8.6(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-3-[[[(2R,3R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-fluorothiolan-2-yl]methoxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-sulfanylphosphinic acid

Drug info:

PubChemData

Smile

C1C(OC(C1(F)F)N2C=CC3=C(N=CN=C32)N)COP(=S)(O)OC4C(C(OC4N5C6=C(C(=O)N=C(N6)N)NN5)COP(=S)(O)O)F

DOS

IR

Vibrations