Geometry & MOs

Info

ID:

393350

PubChem CID:

135020260

Reduced:

Si3O8C47H88 (1)

Stoich.:

A3B8C47D88 (1)

Weight, g/mol:

768.458335

ΔHf, kcal/mol:

-573.71

Dipole, Da:

3.55

IP(EA), eV:

 -8.57(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4E,7R,8S,11E,13S,14S,15E,18R)-14-[tert-butyl(dimethyl)silyl]oxy-8-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylbutyl]-18-[2-(chloromethyl)prop-2-enyl]-3-hydroxy-3,7,12,13-tetramethyl-1,9-dioxacyclooctadeca-4,11,15-triene-2,10-dione

Drug info:

PubChemData

Smile

C[C@@H]1C/C=C/[C@](C(=O)O[C@H](C/C=C/[C@@H]([C@H](/C(=C/C(=O)O[C@H]1C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)/C)C)O[Si](C)(C)C(C)(C)C)CC(=C)CO[Si](C)(C)C(C)(C)C)(C)O

DOS

IR

Vibrations