Geometry & MOs

Info

ID:	400846
PubChem CID:	135049223
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	554.432883
ΔH_f, kcal/mol:	-95.92
Dipole, Da:	2.84
IP(EA), eV:	-9.1(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C/1=C\CCC#C[C@H]([C@H](CC/C(=C/CC1)/C)/C=C\OCOC)O

DOS

IR

Vibrations