Geometry & MOs

Info

ID:

434171

PubChem CID:

135174334

Reduced:

FPSO4N6C9H14 (1)

Stoich.:

ABCD4E6F9G14 (1)

Weight, g/mol:

693.062842

ΔHf, kcal/mol:

-204.98

Dipole, Da:

2.59

IP(EA), eV:

 -8.8(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[2-[[[2-(5-amino-7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-fluorooxolan-3-yl]oxy-oxo-sulfanylphosphanium

Drug info:

PubChemData

Smile

C1C(OC(C1F)N2C3=NC=NC(=C3NN2)N)COP(=S)(O)O

DOS

IR

Vibrations