Geometry & MOs

Info

ID:

434246

PubChem CID:

135174493

Reduced:

O3N6C26H30 (1)

Stoich.:

A3B6C26D30 (1)

Weight, g/mol:

677.098261

ΔHf, kcal/mol:

-25.52

Dipole, Da:

5.4

IP(EA), eV:

 -8.84(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-3-[[5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=CC(=NN=C1N2CCC(CC2)OC3=CN=C(C=C3)OC)C(=O)NC4CCC5=C(C4)C=NC=C5

DOS

IR

Vibrations