Geometry & MOs

Info

ID:	400836
PubChem CID:	135049208
Reduced:	BO3C29H39 (1)
Stoich.:	AB3C29D39 (1)
Weight, g/mol:	476.291802
ΔH_f, kcal/mol:	-188.81
Dipole, Da:	3.32
IP(EA), eV:	-8.94(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-[(R)-[(1S)-2-methylidene-1-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]cyclohexyl]-phenylmethoxy]-phenylsilane

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C2CCCCC2)C3CCCCC3)[C@@H](CC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations