Geometry & MOs

Info

ID:

436946

PubChem CID:

135213204

Reduced:

ION4C23H25 (1)

Stoich.:

ABC4D23E25 (1)

Weight, g/mol:

606.019022

ΔHf, kcal/mol:

147.08

Dipole, Da:

4.42

IP(EA), eV:

 -8.61(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[(1R,4R,5R)-3-(2-amino-6-ethoxypurin-9-yl)-6-azido-4-fluoro-5-hydroxy-2-oxabicyclo[3.1.0]hexan-1-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CN(CCCCI)C1=C2C(=NC=C1NC(=O)C3=CC=CC=CC=CC=C3)C=CN2

DOS

IR

Vibrations