Geometry & MOs

Info

ID:

434179

PubChem CID:

135174342

Reduced:

FP2S2O9N11C19H24 (1)

Stoich.:

AB2C2D9E11F19G24 (1)

Weight, g/mol:

709.081566

ΔHf, kcal/mol:

-403.92

Dipole, Da:

7.68

IP(EA), eV:

 -9.27(-1.47)

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]-2,4-dihydro-1H-triazolo[4,5-d]pyrimidin-7-one

Drug info:

PubChemData

Smile

C1CC(OC1COP(=S)(O)O[C@@H]2C(OC(C2F)N3C=NC4=C(N=CN=C43)N)COP(=S)(O)O)N5C6=NC(=NC(=O)C6=NN5)N

DOS

IR

Vibrations