Geometry & MOs

Info

ID:	226352
PubChem CID:	87350564
Reduced:	ClO3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	502.114497
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	3.05
IP(EA), eV:	-10.25(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S)-3,4,5-triacetyloxy-6-hydroxy-6-(4-methylphenyl)sulfonyl-1-oxohexan-2-yl] acetate

Drug info:

PubChemData

Smile

C=CCOOC(=O)CCl

DOS

IR

Vibrations