Geometry & MOs

Info

ID:

434128

PubChem CID:

135174287

Reduced:

F2P2S2O9N10C20H24 (1)

Stoich.:

A2B2C2D9E10F20G24 (1)

Weight, g/mol:

348.040576

ΔHf, kcal/mol:

-466.13

Dipole, Da:

8.2

IP(EA), eV:

 -8.73(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1C(C(OC1N2C3=NC(=NC(=O)C3=NN2)N)COP(=S)(O)O[C@@H]4C(OC(C4F)N5C=CC6=C(N=CN=C65)N)COP(=O)(O)S)F

DOS

IR

Vibrations