Geometry & MOs

Info

ID:

52909

PubChem CID:

14709188

Reduced:

BO2C14H14 (2)

Stoich.:

AB2C14D14 (2)

Weight, g/mol:

486.198526

ΔHf, kcal/mol:

-212.38

Dipole, Da:

2.22

IP(EA), eV:

 -9.5(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6,15-bis(2-fluorophenyl)-9,9,18,18-tetramethyl-5,7,14,16-tetraoxa-6,15-diborapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,10-triene

Drug info:

PubChemData

Smile

B1(O[C@H]2[C@@H](O1)C(C3=CC4=C(C=C23)C([C@H]5[C@@H]4OB(O5)C6=CC=CC=C6)(C)C)(C)C)C7=CC=CC=C7

DOS

IR

Vibrations