Geometry & MOs

Info

ID:

179475

PubChem CID:

76488596

Reduced:

NO2C20H33 (1)

Stoich.:

AB2C20D33 (1)

Weight, g/mol:

598.161933

ΔHf, kcal/mol:

-128.34

Dipole, Da:

5.62

IP(EA), eV:

 -9.35(0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2,6-dioxo-4,5-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-[5-(2,6-dioxo-4,5-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1CC2C(CC(C(=O)N2C)O)(C3C1C4CCCC4(CC3)C)C

DOS

IR

Vibrations