Geometry & MOs

Info

ID:	294344
PubChem CID:	117453850
Reduced:	SO4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	282.09258
ΔH_f, kcal/mol:	-160.93
Dipole, Da:	3.31
IP(EA), eV:	-8.87(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,6-dimethoxy-2-methylsulfanylphenyl)cyclopropyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)OC2CCSC2)O

DOS

IR

Vibrations