Geometry & MOs

Info

ID:

47485

PubChem CID:

10533266

Reduced:

NOSeC12H17 (2)

Stoich.:

ABCD12E17 (2)

Weight, g/mol:

782.106697

ΔHf, kcal/mol:

52.41

Dipole, Da:

8.12

IP(EA), eV:

 -8.18(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-sulfanylphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphinothioyl]oxymethyl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

COC[C@@H]1CCCN1C[C]2[CH][CH][CH][C]2[Se][Se][C]3[CH][CH][CH][C]3CN4CCC[C@H]4COC

DOS

IR

Vibrations