Geometry & MOs

Info

ID:

434447

PubChem CID:

135174933

Reduced:

P2N8O11C21H26 (1)

Stoich.:

A2B8C11D21E26 (1)

Weight, g/mol:

598.144938

ΔHf, kcal/mol:

-494.49

Dipole, Da:

6.17

IP(EA), eV:

 -9.07(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,4S,5S)-2-(2-amino-6-oxo-3H-purin-9-yl)-5-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] [5-(6-aminopurin-9-yl)oxolan-2-yl]methyl hydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)OC2CC(OC2N3C=NC4=C3C=CNC4=O)COP(=O)(O)O)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations