Geometry & MOs

Info

ID:	409789
PubChem CID:	135082574
Reduced:	BO4C38H45 (1)
Stoich.:	AB4C38D45 (1)
Weight, g/mol:	658.382955
ΔH_f, kcal/mol:	-167.96
Dipole, Da:	3.16
IP(EA), eV:	-9.25(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-4,5-dicyclohexyl-2-[(1R)-1-[(4-methoxyphenyl)methoxy]-2-trityloxyethyl]-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)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations