Geometry & MOs

Info

ID:	309571
PubChem CID:	126549015
Reduced:	ClON2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	454.106179
ΔH_f, kcal/mol:	3.22
Dipole, Da:	4.84
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-dimethyl-4-[[2-(sulfanylmethyl)-5-(trifluoromethoxy)-1-benzofuran-7-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N)NCl

DOS

IR

Vibrations