Geometry & MOs

Info

ID:

400661

PubChem CID:

135048649

Reduced:

BLiP2H34C38 (1)

Stoich.:

ABC2D34E38 (1)

Weight, g/mol:

1056.140218

ΔHf, kcal/mol:

96.96

Dipole, Da:

9.39

IP(EA), eV:

 -7.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5S)-1,3-bis[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-4,5-diphenyl-2-[(Z)-1-[(E)-3-phenylprop-2-enoxy]-2-phenylsulfanylethenoxy]-1,3,2-diazaborolidine

Drug info:

PubChemData

Smile

[Li+].[B-](CP(C1=CC=CC=C1)C2=CC=CC=C2)(CP(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations