Geometry & MOs

Info

ID:

400887

PubChem CID:

135049344

Reduced:

BO3C23H39 (1)

Stoich.:

AB3C23D39 (1)

Weight, g/mol:

998.246398

ΔHf, kcal/mol:

-184.27

Dipole, Da:

3.57

IP(EA), eV:

 -8.65(0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R)-1,3-bis[[3,5-bis(trifluoromethyl)phenyl]sulfonyl]-2-[(Z)-1-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methoxy]prop-1-enoxy]-4,5-diphenyl-1,3,2-diazaborolidine

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)OC(=C)C[C@@H](C(C)C)OCC1=CC=C(C=C1)OC

DOS

IR

Vibrations