Geometry & MOs

Info

ID:

386453

PubChem CID:

134981794

Reduced:

SiO6C45H54 (1)

Stoich.:

AB6C45D54 (1)

Weight, g/mol:

600.294087

ΔHf, kcal/mol:

-199.24

Dipole, Da:

4.0

IP(EA), eV:

 -8.88(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4R)-3-(benzenesulfonyl)-5-[tert-butyl(dimethyl)silyl]oxy-2-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-4-methylpentan-2-yl] benzoate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C1/C=C\[C@H]2[C@@H]([C@H](C[C@H](O2)CC(=O)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C

DOS

IR

Vibrations