Geometry & MOs

Info

ID:	409924
PubChem CID:	135082711
Reduced:	BO5C27H39 (1)
Stoich.:	AB5C27D39 (1)
Weight, g/mol:	370.267925
ΔH_f, kcal/mol:	-262.52
Dipole, Da:	1.7
IP(EA), eV:	-8.55(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4,5-dicyclohexyl-2-[(1S)-1-phenylmethoxyethyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C(C)C)C(C)C)[C@H]([C@H](C)COCC2=CC=C(C=C2)OC)OCC3=CC=CC=C3

DOS

IR

Vibrations