Geometry & MOs

Info

ID:

84555

PubChem CID:

49867873

Reduced:

NH5C6O6 (1)

Stoich.:

AB5C6D6 (1)

Weight, g/mol:

601.082239

ΔHf, kcal/mol:

-138.38

Dipole, Da:

2.58

IP(EA), eV:

 -10.66(-2.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxymethyl]-3,4-dihydroxyoxolan-2-yl] acetate

Drug info:

PubChemData

Smile

C(=C/C(=O)C(=O)O)\C(=C\O)\[N+](=O)[O-]

DOS

IR

Vibrations