Geometry & MOs

Info

ID:

405503

PubChem CID:

135074183

Reduced:

IO2C28H43 (1)

Stoich.:

AB2C28D43 (1)

Weight, g/mol:

763.08391

ΔHf, kcal/mol:

-89.09

Dipole, Da:

2.71

IP(EA), eV:

 -9.66(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

[(2R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

Drug info:

PubChemData

Smile

C#CCCCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1I

DOS

IR

Vibrations