Geometry & MOs

Info

ID:

15670

PubChem CID:

447102

Reduced:

VP2N5C10O12H19 (1)

Stoich.:

AB2C5D10E12F19 (1)

Weight, g/mol:

513.994502

ΔHf, kcal/mol:

-648.78

Dipole, Da:

7.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.817988

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate;vanadium;dihydrate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N.O.O.[V]

DOS

IR

Vibrations