Geometry & MOs

Info

ID:

434439

PubChem CID:

135174925

Reduced:

P2N8O11C21H26 (1)

Stoich.:

A2B8C11D21E26 (1)

Weight, g/mol:

660.12069

ΔHf, kcal/mol:

-481.69

Dipole, Da:

13.42

IP(EA), eV:

 -9.03(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R)-5-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-4-hydroxyoxolan-2-yl]methyl [2-(2-amino-6-oxo-3H-purin-9-yl)-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)OC2CC(OC2N3C=NC4=C3NC=NC4=O)COP(=O)(O)O)N5C=CC6=C(N=CN=C65)N

DOS

IR

Vibrations