Geometry & MOs

Info

ID:

191748

PubChem CID:

78183462

Reduced:

O7N11C39H65 (1)

Stoich.:

A7B11C39D65 (1)

Weight, g/mol:

920.185141

ΔHf, kcal/mol:

-346.66

Dipole, Da:

4.6

IP(EA), eV:

 -8.94(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2-amino-6-oxo-5H-purin-9-yl)-3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl [5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C)NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C5CCCN5

DOS

IR

Vibrations