Geometry & MOs

Info

ID:	401691
PubChem CID:	135052146
Reduced:	SO3C14H18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	322.0052
ΔH_f, kcal/mol:	-73.9
Dipole, Da:	4.48
IP(EA), eV:	-9.47(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5S)-4-acetyloxy-5-bromo-2-(2-oxopropyl)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)C#CC(C1=CC=CC=C1)OS(=O)(=O)C

DOS

IR

Vibrations