Geometry & MOs

Info

ID:

328508

PubChem CID:

126723724

Reduced:

F2P3C5O11H13 (1)

Stoich.:

A2B3C5D11E13 (1)

Weight, g/mol:

556.992553

ΔHf, kcal/mol:

-784.99

Dipole, Da:

5.67

IP(EA), eV:

 -10.74(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(2R,3R,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-fluoro-2-(fluoromethyl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

C[C@@H]([C@@](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)(OC)F)F

DOS

IR

Vibrations