Geometry & MOs

Info

ID:	337914
PubChem CID:	127258537
Reduced:	SO3C10H20 (1)
Stoich.:	AB3C10D20 (1)
Weight, g/mol:	226.066365
ΔH_f, kcal/mol:	-170.19
Dipole, Da:	4.2
IP(EA), eV:	-8.65(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxy-4-methylsulfanylphenyl) butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC(CC(C)SC)O

DOS

IR

Vibrations