Geometry & MOs

Info

ID:	385413
PubChem CID:	134979014
Reduced:	BO7C11H17 (1)
Stoich.:	AB7C11D17 (1)
Weight, g/mol:	292.01177
ΔH_f, kcal/mol:	-373.11
Dipole, Da:	0.94
IP(EA), eV:	-9.78(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,6R,6aR)-4-bromo-2-ethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxaborol-6-yl]methyl acetate

Drug info:

PubChemData

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B1(O[C@H]([C@@H](O1)C(=O)OCC)C(=O)OCC)OC(=C)C

DOS

IR

Vibrations