Geometry & MOs

Info

ID:	302015
PubChem CID:	123110068
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	254.097666
ΔH_f, kcal/mol:	-76.65
Dipole, Da:	1.8
IP(EA), eV:	-8.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(butylsulfinylmethyl)benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC(=C1)CS(=O)CC=C

DOS

IR

Vibrations