Geometry & MOs

Info

ID:

341774

PubChem CID:

127264467

Reduced:

SiO6C37H62 (1)

Stoich.:

AB6C37D62 (1)

Weight, g/mol:

708.409117

ΔHf, kcal/mol:

-371.62

Dipole, Da:

2.74

IP(EA), eV:

 -8.8(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,3R,4R)-2-[[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl]-4-(oxan-2-yloxy)-3-[(E)-3-(oxan-2-yloxy)oct-1-enyl]cyclopentyl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CCCCCC(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC2=CC(=CC=C2)O[Si](C)(C)C(C)(C)C)CO)OC3CCCCO3)OC4CCCCO4

DOS

IR

Vibrations