Geometry & MOs

Info

ID:

185945

PubChem CID:

77373294

Reduced:

N2O9C34H44 (1)

Stoich.:

A2B9C34D44 (1)

Weight, g/mol:

561.186937

ΔHf, kcal/mol:

-319.6

Dipole, Da:

5.41

IP(EA), eV:

 -7.98(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-N-[5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide;hydrate;dihydrochloride

Drug info:

PubChemData

Smile

C.COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

DOS

IR

Vibrations