Geometry & MOs

Info

ID:

46793

PubChem CID:

10527373

Reduced:

OSiN4C26H34 (1)

Stoich.:

ABC4D26E34 (1)

Weight, g/mol:

447.189317

ΔHf, kcal/mol:

-3.19

Dipole, Da:

4.59

IP(EA), eV:

 -9.01(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aR,4R,5R,6S,6aS)-5-acetamido-6-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclohexane]-4-yl] (2S)-2-acetyloxy-2-phenylacetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3C[C@@H]4CCN3C[C@@H]4N5C=NC=N5

DOS

IR

Vibrations