Geometry & MOs

Info

ID:

385055

PubChem CID:

134978220

Reduced:

SP2N5O10C11H15 (1)

Stoich.:

AB2C5D10E11F15 (1)

Weight, g/mol:

474.024962

ΔHf, kcal/mol:

-440.5

Dipole, Da:

15.72

IP(EA), eV:

 -9.31(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(2-amino-7-methyl-6-oxo-3H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydroxyphosphinothioyl hydrogen phosphate

Drug info:

PubChemData

Smile

CN1C=[N+](C2=C1C(=O)N=C(N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=S)([O-])[O-])O)O

DOS

IR

Vibrations