Geometry & MOs

Info

ID:

82953

PubChem CID:

49856871

Reduced:

SiO9C41H74 (1)

Stoich.:

AB9C41D74 (1)

Weight, g/mol:

392.238286

ΔHf, kcal/mol:

-536.43

Dipole, Da:

5.01

IP(EA), eV:

 -9.22(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,2S,6R)-7-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-2,6-dimethylhept-3-enyl] benzoate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H](C[C@H]1C[C@H](OC(O1)(C)C)C[C@@H]2C[C@H](OC(O2)(C)C)C[C@@H]3C[C@@H](OC(O3)(C)C)/C=C/[C@H](C)[C@H](C(C)C)O)[C@@H](C)/C=C/C=O

DOS

IR

Vibrations