Geometry & MOs

Info

ID:

434195

PubChem CID:

135174376

Reduced:

FN3O5C27H34 (1)

Stoich.:

AB3C5D27E34 (1)

Weight, g/mol:

711.029611

ΔHf, kcal/mol:

-200.12

Dipole, Da:

2.99

IP(EA), eV:

 -8.32(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC2=C(C1O)C=C(C=C2)O[C@@H]3CC(NC[C@@H]3F)C4CNCCC4OC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations