Geometry & MOs

Info

ID:

434288

PubChem CID:

135174586

Reduced:

F2P2S2N10O10C19H22 (1)

Stoich.:

A2B2C2D10E10F19G22 (1)

Weight, g/mol:

717.051409

ΔHf, kcal/mol:

-474.9

Dipole, Da:

12.86

IP(EA), eV:

 -9.57(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R)-3-[[(3S)-5-(5-amino-7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-3-fluoro-2-[1-(7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)ethoxy]propoxy]-sulfanylphosphinic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(O)O[C@@H]4[C@H](OC(C4F)N5C6=NC=NC(=O)C6=NN5)COP(=O)(O)S)F

DOS

IR

Vibrations