Geometry & MOs

Info

ID:

336639

PubChem CID:

127255646

Reduced:

NaP2N7O16C19H27 (1)

Stoich.:

AB2C7D16E19F27 (1)

Weight, g/mol:

383.934833

ΔHf, kcal/mol:

-746.37

Dipole, Da:

12.62

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.966657

Charge, e:

 0

Chem-info

IUPAC name:

dimagnesium;[(2R,3R,4S)-2,3,4-trihydroxy-5-oxo-6-phosphonatooxyhexyl] phosphate

Drug info:

PubChemData

Smile

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O.C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O.[Na]

DOS

IR

Vibrations