Geometry & MOs

Info

ID:

81920

PubChem CID:

49855353

Reduced:

SiO6C32H46 (1)

Stoich.:

AB6C32D46 (1)

Weight, g/mol:

986.575952

ΔHf, kcal/mol:

-293.11

Dipole, Da:

2.0

IP(EA), eV:

 -8.99(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,5S)-2-[(1S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-3-methylbutyl]-5-[(4R,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-3-yl] (2S,3S,4R,5S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-2,5,6-trimethyloct-7-enoate

Drug info:

PubChemData

Smile

C[C@H](C[C@@H]([C@H]1[C@@H](C[C@H](O1)[C@@H]2[C@@H](OC(O2)(C)C)C=C)O)O)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C

DOS

IR

Vibrations