Geometry & MOs

Info

ID:	409783
PubChem CID:	135082568
Reduced:	BPN3O8C17H25 (1)
Stoich.:	ABC3D8E17F25 (1)
Weight, g/mol:	432.260253
ΔH_f, kcal/mol:	-303.83
Dipole, Da:	8.04
IP(EA), eV:	-8.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-2-[(1S,2S)-1-chloro-2-phenylmethoxybutyl]-4,5-dicyclohexyl-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

[B-](C#N)[P+](OCC)(OCC)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)OC(=O)C

DOS

IR

Vibrations