Geometry & MOs

Info

ID:

47455

PubChem CID:

10532877

Reduced:

ClCuSN3O9C30H39 (1)

Stoich.:

ABCD3E9F30G39 (1)

Weight, g/mol:

715.361664

ΔHf, kcal/mol:

-307.52

Dipole, Da:

10.44

IP(EA), eV:

 -8.54(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[(6aR,8R,9R,9aR)-2,2,4,4-tetra(propan-2-yl)-9-trimethylsilyloxy-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-6-(2,4,6-trimethylphenoxy)purin-2-amine

Drug info:

PubChemData

Smile

CC1=C2[C@H](/C(=N/NC(=S)N)/[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O.Cl[Cu]

DOS

IR

Vibrations