Geometry & MOs

Info

ID:	381265
PubChem CID:	134971949
Reduced:	BSiO4C13H30 (1)
Stoich.:	ABC4D13E30 (1)
Weight, g/mol:	288.192816
ΔH_f, kcal/mol:	-263.64
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757723
Charge, e:	0

Chem-info

IUPAC name:

[(E,3R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methylpent-1-enyl]boronic acid

Drug info:

PubChemData

Smile

B(/C=C/[C@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)OC)([OH2+])O

DOS

IR

Vibrations