Geometry & MOs

Info

ID:	284738
PubChem CID:	104066635
Reduced:	SO3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	288.082016
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	3.18
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-hydroxy-2-phenylethyl)sulfanyl-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SCC2=CC(=CC=C2)O)C(=O)O

DOS

IR

Vibrations