Geometry & MOs

Info

ID:

168922

PubChem CID:

75041284

Reduced:

NOH19C21 (1)

Stoich.:

ABC19D21 (1)

Weight, g/mol:

885.113607

ΔHf, kcal/mol:

98.54

Dipole, Da:

1.1

IP(EA), eV:

 -8.8(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[[5-(2-amino-6-oxo-2,3,4,5-tetrahydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methyl]phosphinic acid

Drug info:

PubChemData

Smile

C1CCC(=CC1)C#CC2=CC=CC=C2C(=NO)C3=CC=CC=C3

DOS

IR

Vibrations