Geometry & MOs

Info

ID:	412725
PubChem CID:	135085639
Reduced:	BrO5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	148.073559
ΔH_f, kcal/mol:	-161.28
Dipole, Da:	8.84
IP(EA), eV:	-9.27(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R)-5-ethyloxolane-2,3,4-triol

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)OCC(=O)OC)C=O)Br

DOS

IR

Vibrations