Geometry & MOs

Info

ID:	400600
PubChem CID:	135048451
Reduced:	BOC22H43 (1)
Stoich.:	ABC22D43 (1)
Weight, g/mol:	421.291887
ΔH_f, kcal/mol:	-160.71
Dipole, Da:	1.24
IP(EA), eV:	-9.47(1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[(S)-chloro-[(4R,5R)-4,5-dicyclohexyl-1,3,2-dioxaborolan-2-yl]methyl]-2-methyloctanenitrile

Drug info:

PubChemData

Smile

B1(C(C=CCO1)(CCCCCC)CCCCCC)CCCCCC

DOS

IR

Vibrations