Geometry & MOs

Info

ID:

150827

PubChem CID:

53790523

Reduced:

NCl2O4C18H21 (1)

Stoich.:

AB2C4D18E21 (1)

Weight, g/mol:

478.205021

ΔHf, kcal/mol:

-134.37

Dipole, Da:

2.45

IP(EA), eV:

 -8.44(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-[9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[1-(1H-imidazol-5-yl)ethylamino]purin-9-ium-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)OCCOC1=C(C=C(C(=C1)N2C(=CC(=C2O)C(=C)C)O)Cl)Cl

DOS

IR

Vibrations