Geometry & MOs

Info

ID:	294944
PubChem CID:	117507228
Reduced:	SO4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	324.112837
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	6.17
IP(EA), eV:	-8.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations