Geometry & MOs

Info

ID:

385218

PubChem CID:

134978545

Reduced:

PSN3O6C9H12 (1)

Stoich.:

ABC3D6E9F12 (1)

Weight, g/mol:

700.969178

ΔHf, kcal/mol:

-245.71

Dipole, Da:

5.86

IP(EA), eV:

 -9.68(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

[[[(2R,3S,4R,5R)-5-[6-amino-2-[2-(4-nitrophenyl)ethylsulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=S)([O-])[O-])O

DOS

IR

Vibrations