Geometry & MOs

Info

ID:	390774
PubChem CID:	135000862
Reduced:	BO6C33H33 (1)
Stoich.:	AB6C33D33 (1)
Weight, g/mol:	536.237019
ΔH_f, kcal/mol:	-169.82
Dipole, Da:	3.28
IP(EA), eV:	-9.48(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-3-[(4R,5R)-4,5-bis[methoxy(diphenyl)methyl]-1,3,2-dioxaborolan-2-yl]oxiran-2-yl]methanol

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)[C@H]6[C@@H](O6)CO

DOS

IR

Vibrations