Geometry & MOs

Info

ID:	196544
PubChem CID:	78846721
Reduced:	SO2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	242.070972
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	3.87
IP(EA), eV:	-8.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-butoxy-4-chlorobenzoate

Drug info:

PubChemData

Smile

CCSCC1=CC(=CC=C1)C(=O)OC

DOS

IR

Vibrations