Geometry & MOs

Info

ID:

386692

PubChem CID:

134982554

Reduced:

SSi2O8C41H70 (1)

Stoich.:

AB2C8D41E70 (1)

Weight, g/mol:

695.349189

ΔHf, kcal/mol:

-474.82

Dipole, Da:

5.44

IP(EA), eV:

 -8.76(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2R,6S)-2-[2-[(1S,3aS,4R,4aS,8aR,9aS)-1-methoxy-1,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydrobenzo[f][2]benzofuran-4-yl]-2-(benzenesulfonyl)-1-benzoyloxyethyl]-6-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](CCCC(C(/C=C/[C@H]1C[C@@H](OC(O1)(C)C)C/C=C\C=C\CO[Si](C)(C)C(C)(C)C)OC(=O)C)S(=O)(=O)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations