Geometry & MOs

Info

ID:	374498
PubChem CID:	131330533
Reduced:	ClSO2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	230.041294
ΔH_f, kcal/mol:	-59.93
Dipole, Da:	3.33
IP(EA), eV:	-8.53(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoro-2-methyl-6-methylsulfanylphenyl)-2-hydroxyacetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC2=C1SC=C2Cl)CO

DOS

IR

Vibrations