Geometry & MOs

Info

ID:

434129

PubChem CID:

135174288

Reduced:

PSO5N6C9H13 (1)

Stoich.:

ABC5D6E9F13 (1)

Weight, g/mol:

707.065916

ΔHf, kcal/mol:

-182.84

Dipole, Da:

11.68

IP(EA), eV:

 -9.44(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-3-[(1S,6R,10S,15R,18S)-8-(6-aminopurin-9-yl)-18-fluoro-12-hydroxy-6-methyl-3-oxo-3-sulfanyl-12-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

C1CC(OC1COP(=S)(O)O)N2C3=NC(=NC(=O)C3=NN2)N

DOS

IR

Vibrations