Geometry & MOs

Info

ID:

434226

PubChem CID:

135174459

Reduced:

FP2S3O9N10C21H27 (1)

Stoich.:

AB2C3D9E10F21G27 (1)

Weight, g/mol:

674.116354

ΔHf, kcal/mol:

-452.93

Dipole, Da:

10.09

IP(EA), eV:

 -9.26(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R,15R)-17-(2-amino-6-methylidene-1H-purin-9-yl)-8-(6-aminopurin-9-yl)-9-fluoro-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-18-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@@](OC1N2C=NC3=C(N=CN=C32)N)(CO)COP(=O)(O)S)OP(=S)(O)OCC4C(CC(S4)N5C=NC6=C5NC(=NC6=O)N)F

DOS

IR

Vibrations