Geometry & MOs

Info

ID:

215375

PubChem CID:

85084638

Reduced:

Br3O10H25C36 (1)

Stoich.:

A3B10C25D36 (1)

Weight, g/mol:

858.512942

ΔHf, kcal/mol:

-337.23

Dipole, Da:

4.65

IP(EA), eV:

 -8.65(-2.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tritert-butyl 6-(4,6-dimethyloct-2-enoyloxy)-4-hydroxy-7-(2-methoxypropan-2-yloxy)-1-(5-methyl-6-phenylhex-3-enyl)-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylate

Drug info:

PubChemData

Smile

CCCC(CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=C1Br)O)C(=O)C7=C(C(=C(C(=C67)C8=C5C(=C(C=C8O)O)C4=O)O)Br)O)O)Br)CC(C)O)O

DOS

IR

Vibrations