Geometry & MOs

Info

ID:	409791
PubChem CID:	135082576
Reduced:	BClO3C24H36 (1)
Stoich.:	ABC3D24E36 (1)
Weight, g/mol:	446.275903
ΔH_f, kcal/mol:	-230.88
Dipole, Da:	5.08
IP(EA), eV:	-9.38(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H]([C@@H](C)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations