Geometry & MOs

Info

ID:

48738

PubChem CID:

11528281

Reduced:

N2O16C29H41 (2)

Stoich.:

A2B16C29D41 (2)

Weight, g/mol:

1348.236295

ΔHf, kcal/mol:

-1388.59

Dipole, Da:

5.2

IP(EA), eV:

 -9.32(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxymethyl-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]phosphinic acid

Drug info:

PubChemData

Smile

CC(=O)[C@]1(C[C@@H]([C@H]([C@H](O1)C(C(CO)O)O)NC(=O)C)O)OC2[C@H]([C@H](O[C@H]([C@@H]2O)OC3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)COC7[C@@H]([C@H]([C@@H]([C@H](O7)CO)OC8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(=O)C)CO)O

DOS

IR

Vibrations