Geometry & MOs

Info

ID:	294642
PubChem CID:	117477694
Reduced:	SO4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	296.042706
ΔH_f, kcal/mol:	-163.09
Dipole, Da:	1.99
IP(EA), eV:	-8.86(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-4-hydroxy-2-(trifluoromethyl)phenyl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C(=CC=C1)OC)OC2CCSCC2)C(=O)O

DOS

IR

Vibrations