Geometry & MOs

Info

ID:	165302
PubChem CID:	74529052
Reduced:	FN2S2O6H15C20 (1)
Stoich.:	AB2C2D6E15F20 (1)
Weight, g/mol:	500.042055
ΔH_f, kcal/mol:	-163.29
Dipole, Da:	4.18
IP(EA), eV:	-9.22(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-4-oxo-1,3-thiazol-5-ylidene]methyl]-2-ethoxyphenoxy]acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3F)OCC(=O)O

DOS

IR

Vibrations