Geometry & MOs

Info

ID:

406831

PubChem CID:

135078735

Reduced:

BSiO3F4C41H45 (1)

Stoich.:

ABC3D4E41F45 (1)

Weight, g/mol:

800.348015

ΔHf, kcal/mol:

-322.16

Dipole, Da:

1.12

IP(EA), eV:

 -8.75(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2R)-1-naphthalen-2-yl-2-[4,4,5,5-tetrakis(4-fluorophenyl)-1,3,2-dioxaborolan-2-yl]but-3-enoxy]-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)[C@H](C=C)[C@H](C=C)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations