Geometry & MOs

Info

ID:

400878

PubChem CID:

135049315

Reduced:

BOSC31H59 (1)

Stoich.:

ABCD31E59 (1)

Weight, g/mol:

962.152497

ΔHf, kcal/mol:

-196.06

Dipole, Da:

1.36

IP(EA), eV:

 -8.71(0.28)

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]prop-1-enoxy]-1,3,2-diazaborolidine

Drug info:

PubChemData

Smile

B(C[C@H]1C[C@@H](CC[C@H]1C(C)C)C)(C[C@H]2C[C@@H](CC[C@H]2C(C)C)C)OC(=C)SC(CC)(CC)CC

DOS

IR

Vibrations