Geometry & MOs

Info

ID:

434286

PubChem CID:

135174584

Reduced:

P2N10O11C21H28 (1)

Stoich.:

A2B10C11D21E28 (1)

Weight, g/mol:

712.02486

ΔHf, kcal/mol:

-483.06

Dipole, Da:

8.75

IP(EA), eV:

 -9.06(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1R,6R,8R,10R,15S,17R)-17-(2-amino-6-oxo-3H-purin-9-yl)-9,9-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

C[C@@H](C1CCC(O1)N2C=NC3=C(N=CN=C32)N)OP(=O)(O)OC4CC(OC4N5C=NC6=C5NC(=NC6=O)N)COP(=O)(O)O

DOS

IR

Vibrations