Geometry & MOs

Info

ID:

380377

PubChem CID:

134970807

Reduced:

BrSiO3C34H43 (1)

Stoich.:

ABC3D34E43 (1)

Weight, g/mol:

370.214409

ΔHf, kcal/mol:

-102.5

Dipole, Da:

5.09

IP(EA), eV:

 -8.94(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,5Z,8R,9S)-2-ethyl-8-[(4-methoxyphenyl)methoxy]-9-[(Z)-pent-2-en-4-ynyl]-2,3,4,7,8,9-hexahydrooxonin-3-ol

Drug info:

PubChemData

Smile

CC[C@@H]1[C@@H](C/C=C\C[C@@H]([C@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)OCC4=CC=CC=C4)Br

DOS

IR

Vibrations