Geometry & MOs

Info

ID:

434131

PubChem CID:

135174290

Reduced:

FP2S2O9N11C21H24 (1)

Stoich.:

AB2C2D9E11F21G24 (1)

Weight, g/mol:

676.080089

ΔHf, kcal/mol:

-356.56

Dipole, Da:

12.82

IP(EA), eV:

 -9.46(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[5-[[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(dihydroxyphosphinothioyloxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C#C[C@]1(CCC(O1)N2C=NC3=C(N=CN=C32)N)COP(=O)(O[C@@H]4C(C(OC4N5C6=NC(=NC(=O)C6=NN5)N)COP(=S)(O)O)F)S

DOS

IR

Vibrations