Geometry & MOs

Info

ID:	426312
PubChem CID:	135143319
Reduced:	SO2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	342.077324
ΔH_f, kcal/mol:	-89.27
Dipole, Da:	3.0
IP(EA), eV:	-8.34(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-1-(4-methylsulfonylphenyl)-1-oxopropan-2-yl] 2-acetyloxyacetate

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=C(C=C1)SC)O)O

DOS

IR

Vibrations