Geometry & MOs

Info

ID:

434455

PubChem CID:

135174984

Reduced:

FP2S2O9N10C20H24 (1)

Stoich.:

AB2C2D9E10F20G24 (1)

Weight, g/mol:

350.056226

ΔHf, kcal/mol:

-363.86

Dipole, Da:

8.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.767584

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[5-(dihydroxyphosphinothioyloxymethyl)oxolan-2-yl]-2,4-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1[C@H](C(OC1CO)N2C3=NC(=NC(=O)C3=NN2)N)OP(=S)(O)OCC4[C@H](C(C(O4)N5C=CC6=C(N=CN=C65)N)F)O[P+](=O)S

DOS

IR

Vibrations