Geometry & MOs

Info

ID:

434174

PubChem CID:

135174337

Reduced:

FP2S2O10N11C21H32 (1)

Stoich.:

AB2C2D10E11F21G32 (1)

Weight, g/mol:

709.081566

ΔHf, kcal/mol:

-496.05

Dipole, Da:

8.09

IP(EA), eV:

 -9.02(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S)-3-[[5-(5-amino-7-oxo-2H-triazolo[4,5-d]pyrimidin-3-yl)-3-fluorooxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(6-aminopurin-9-yl)-2-methyloxolan-2-yl]methoxy-sulfanylphosphinic acid

Drug info:

PubChemData

Smile

CNN(C1CC(C(O1)COP(=S)(O)O[C@H]2CC(O[C@]2(CO)COP(=O)(O)S)N3C=NC4=C(N=CN=C43)N)F)C5=C(C(=O)N=C(N5)N)N

DOS

IR

Vibrations