Geometry & MOs

Info

ID:

400888

PubChem CID:

135049345

Reduced:

BN2S2O6F12H43C44 (1)

Stoich.:

AB2C2D6E12F43G44 (1)

Weight, g/mol:

554.432883

ΔHf, kcal/mol:

-870.83

Dipole, Da:

4.91

IP(EA), eV:

 -8.75(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(Z)-1-tert-butylsulfanyl-2-phenylmethoxyethenoxy]-bis[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]methyl]borane

Drug info:

PubChemData

Smile

B1(N([C@@H]([C@H](N1S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)O/C(=C/C)/OC[C@H]6C[C@@H](CC[C@H]6C(C)C)C

DOS

IR

Vibrations