Geometry & MOs

Info

ID:

434133

PubChem CID:

135174292

Reduced:

FPSO5N6C10H14 (1)

Stoich.:

ABCD5E6F10G14 (1)

Weight, g/mol:

694.058091

ΔHf, kcal/mol:

-227.87

Dipole, Da:

7.92

IP(EA), eV:

 -9.71(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(3S)-2-[[[2-(5-amino-7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)-4-fluoro-5-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)oxolan-3-yl]oxy-oxo-sulfanylphosphanium

Drug info:

PubChemData

Smile

C1C[C@](OC1N2C3=NC(=NC(=O)C3=NN2)N)(COP(=S)(O)O)CF

DOS

IR

Vibrations