Geometry & MOs

Info

ID:

12045

PubChem CID:

127777

Reduced:

P3N6C10O14H17 (1)

Stoich.:

A3B6C10D14E17 (1)

Weight, g/mol:

538.00156

ΔHf, kcal/mol:

-738.26

Dipole, Da:

13.58

IP(EA), eV:

 -9.39(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3S,4R,5R)-5-(2,8-diamino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)N=C(N3)N)N=C2N)O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O

DOS

IR

Vibrations