Geometry & MOs

Info

ID:	409790
PubChem CID:	135082575
Reduced:	BO5C43H51 (1)
Stoich.:	AB5C43D51 (1)
Weight, g/mol:	418.244603
ΔH_f, kcal/mol:	-207.53
Dipole, Da:	0.53
IP(EA), eV:	-8.47(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@H](COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OCC7=CC=C(C=C7)OC

DOS

IR

Vibrations