Geometry & MOs

Info

ID:

434206

PubChem CID:

135174435

Reduced:

FPSN5O5C9H11 (1)

Stoich.:

ABCD5E5F9G11 (1)

Weight, g/mol:

732.031088

ΔHf, kcal/mol:

-214.07

Dipole, Da:

10.31

IP(EA), eV:

 -9.8(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S,6R,8R,10R,15R,17R,18R)-17-(2-amino-6-oxo-3H-purin-9-yl)-9,9,18-trifluoro-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]-2,4-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1C(OC(C1F)N2C3=NC=NC(=O)C3=NN2)COP(=S)(O)O

DOS

IR

Vibrations