Geometry & MOs

Info

ID:	146872
PubChem CID:	53764361
Reduced:	O6C11H22 (1)
Stoich.:	A6B11C22 (1)
Weight, g/mol:	493.007298
ΔH_f, kcal/mol:	-280.5
Dipole, Da:	4.89
IP(EA), eV:	-10.07(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[2-(4-chlorophenyl)ethoxy]-6-[(2,6-dichlorophenyl)sulfanylmethyl]pyridin-2-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCOC[C@H](C(=O)[C@@H]([C@H](CO)O)O)O

DOS

IR

Vibrations