Geometry & MOs

Info

ID:	400771
PubChem CID:	135049031
Reduced:	BNO3C23H34 (1)
Stoich.:	ABC3D23E34 (1)
Weight, g/mol:	578.472409
ΔH_f, kcal/mol:	-147.42
Dipole, Da:	4.32
IP(EA), eV:	-8.94(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-[bis[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]methyl]boranyloxy]-2-tert-butylsulfanylethenoxy]-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

B(CCCC)(CCCC)O/C(=C\CC=C)/N1[C@H](COC1=O)CC2=CC=CC=C2

DOS

IR

Vibrations