Geometry & MOs

Info

ID:	338953
PubChem CID:	127259964
Reduced:	SBr2O5H10C14 (1)
Stoich.:	AB2C5D10E14 (1)
Weight, g/mol:	387.9939
ΔH_f, kcal/mol:	-142.86
Dipole, Da:	4.93
IP(EA), eV:	-9.53(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(benzenesulfonyloxy)-2,4-dichloro-3-ethylphenyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1Br)Br)OS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations