Geometry & MOs

Info

ID:	338954
PubChem CID:	127259965
Reduced:	SCl2O5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	373.97825
ΔH_f, kcal/mol:	-179.37
Dipole, Da:	6.04
IP(EA), eV:	-9.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1Cl)OC(=O)C)OS(=O)(=O)C2=CC=CC=C2)Cl

DOS

IR

Vibrations