Geometry & MOs

Info

ID:

384822

PubChem CID:

134977743

Reduced:

PSeO7N10C20H25 (1)

Stoich.:

ABC7D10E20F25 (1)

Weight, g/mol:

659.06306

ΔHf, kcal/mol:

-182.37

Dipole, Da:

4.71

IP(EA), eV:

 -9.11(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2-amino-9-[(2R,4S,5R)-5-[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-oxidophosphinoselenoyl]oxymethyl]-4-hydroxyoxolan-2-yl]-3H-purin-6-one

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