Geometry & MOs

Info

ID:	293318
PubChem CID:	117384271
Reduced:	SO3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	252.082016
ΔH_f, kcal/mol:	-103.87
Dipole, Da:	7.41
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-(3-hydroxy-4-methylsulfanylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CSC1=C(C=CC=C1O)C(CC(=O)O)C2CC2

DOS

IR

Vibrations