Geometry & MOs

Info

ID:

127849

PubChem CID:

51019405

Reduced:

O2C17H21 (2)

Stoich.:

A2B17C21 (2)

Weight, g/mol:

496.10003

ΔHf, kcal/mol:

-87.4

Dipole, Da:

1.18

IP(EA), eV:

 -8.99(0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,4R,8S)-8-[3-[(2-methylpropan-2-yl)oxycarbonyloxy]propyl]-3-oxo-8-phenylselanyl-2-oxabicyclo[2.2.2]oct-5-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]2CC[C@@H]([C@@H]1COC(=O)C)[C@H]3[C@@H]2[C@H]4C[C@@H]3[C@H]5[C@@H]4[C@]6([C@@]5([C@H]7[C@@H]6[C@H]8C[C@@H]7C9=CC=CC=C89)C)C

DOS

IR

Vibrations