Geometry & MOs

Info

ID:

338303

PubChem CID:

127258995

Reduced:

NaP3N5C10O12H15 (1)

Stoich.:

AB3C5D10E12F15 (1)

Weight, g/mol:

551.00182

ΔHf, kcal/mol:

-721.75

Dipole, Da:

3.99

IP(EA), eV:

 -8.56(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tetrasodium;(2S)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonatooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioate

Drug info:

PubChemData

Smile

C1[C@H](O[C@H]([C@@H]1[O-])N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O.[Na+]

DOS

IR

Vibrations