Geometry & MOs

Info

ID:	340427
PubChem CID:	127262438
Reduced:	SO2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	-43.89
Dipole, Da:	2.02
IP(EA), eV:	-9.05(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-4-methylphenyl)methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC(=CC=C1)C2=CC=CS2

DOS

IR

Vibrations