Geometry & MOs

Info

ID:

52921

PubChem CID:

14709211

Reduced:

BFO2H13C14 (2)

Stoich.:

ABC2D13E14 (2)

Weight, g/mol:

608.282924

ΔHf, kcal/mol:

-338.37

Dipole, Da:

6.3

IP(EA), eV:

 -9.6(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,8S,13R,17S)-6,15-bis(4-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;N,N-dimethylpyridin-4-amine

Drug info:

PubChemData

Smile

B1(OC2C(O1)C(C3=CC4=C(C=C23)C(C5C4OB(O5)C6=CC=C(C=C6)F)(C)C)(C)C)C7=CC=C(C=C7)F

DOS

IR

Vibrations