Geometry & MOs

Info

ID:

434274

PubChem CID:

135174571

Reduced:

SP2N10O12C20H24 (1)

Stoich.:

AB2C10D12E20F24 (1)

Weight, g/mol:

660.100704

ΔHf, kcal/mol:

-499.07

Dipole, Da:

5.87

IP(EA), eV:

 -9.08(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-9-[(6R,15S)-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-17-yl]-3H-purin-6-one

Drug info:

PubChemData

Smile

C1[C@@H]2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(OC[C@@H]5C(C(C(S5)N6C=NC7=C6NC(=NC7=O)N)OP(=O)(O1)O)O)O

DOS

IR

Vibrations