Geometry & MOs

Info

ID:	337915
PubChem CID:	127258538
Reduced:	SO3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	-116.2
Dipole, Da:	3.17
IP(EA), eV:	-8.37(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4-methylsulfanylphenyl)methyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OC1=C(C=C(C=C1)SC)O

DOS

IR

Vibrations