Geometry & MOs

Info

ID:

434208

PubChem CID:

135174437

Reduced:

PSO5N6C9H17 (1)

Stoich.:

ABC5D6E9F17 (1)

Weight, g/mol:

712.02486

ΔHf, kcal/mol:

-233.21

Dipole, Da:

10.79

IP(EA), eV:

 -8.1(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,6R,8R,10R,15R,18R)-17-(2-amino-6-oxo-3H-purin-9-yl)-9,18-difluoro-12-hydroxy-3-oxo-3-sulfanyl-12-sulfanylidene-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-8-yl]-2H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)O)N(C2=C(C(=O)N=C(N2)N)N)N

DOS

IR

Vibrations