Geometry & MOs

Info

ID:

16366

PubChem CID:

465709

Reduced:

P3N6C10O12H17 (1)

Stoich.:

A3B6C10D12E17 (1)

Weight, g/mol:

506.011731

ΔHf, kcal/mol:

-652.21

Dipole, Da:

9.14

IP(EA), eV:

 -9.35(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-N-[hydroxy(phosphonooxy)phosphoryl]phosphonamidic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations