Geometry & MOs

Info

ID:

384821

PubChem CID:

134977742

Reduced:

PSeO7N10C20H24 (1)

Stoich.:

ABC7D10E20F24 (1)

Weight, g/mol:

628.08105

ΔHf, kcal/mol:

-146.07

Dipole, Da:

5.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.753770

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinoselenoyl]oxymethyl]oxolan-3-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=[Se])([O-])O[C@H]4C[C@@H](O[C@@H]4CO)N5C=NC6=C(N=CN=C65)N)O

DOS

IR

Vibrations