Geometry & MOs

Info

ID:

52910

PubChem CID:

14709191

Reduced:

BFO2H13C14 (2)

Stoich.:

ABC2D13E14 (2)

Weight, g/mol:

486.198526

ΔHf, kcal/mol:

-334.67

Dipole, Da:

2.03

IP(EA), eV:

 -9.44(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,8S,13R,17S)-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(OC2C(O1)C(C3=CC4=C(C=C23)C(C5C4OB(O5)C6=CC=CC=C6F)(C)C)(C)C)C7=CC=CC=C7F

DOS

IR

Vibrations