Geometry & MOs

Info

ID:	294290
PubChem CID:	117450387
Reduced:	SO3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-103.6
Dipole, Da:	6.9
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethyl-2-methoxy-5-methylsulfanylphenyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)C(CC(=O)O)C2CC2)SC

DOS

IR

Vibrations