Geometry & MOs

Info

ID:

434147

PubChem CID:

135174310

Reduced:

P2S2F3O9N10C20H23 (1)

Stoich.:

A2B2C3D9E10F20G23 (1)

Weight, g/mol:

719.085902

ΔHf, kcal/mol:

-516.45

Dipole, Da:

3.19

IP(EA), eV:

 -8.83(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[(1R,6R,9R,10S)-8-(6-aminopurin-9-yl)-6-ethyl-3,9,12-trihydroxy-3,12-bis(sulfanylidene)-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1C(OC(C1(F)F)N2C=CC3=C(N=CN=C32)N)COP(=S)(O)OC4C(C(OC4N5C6=NC(=NC(=O)C6=NN5)N)COP(=S)(O)O)F

DOS

IR

Vibrations