Geometry & MOs

Info

ID:	190893
PubChem CID:	78072149
Reduced:	SN2F3O3C21H23 (1)
Stoich.:	AB2C3D3E21F23 (1)
Weight, g/mol:	555.128649
ΔH_f, kcal/mol:	-234.72
Dipole, Da:	6.11
IP(EA), eV:	-9.83(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[3-methyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1(C2=CC=CC=C2)NC(=O)CC(CC3=CC(=C(C=C3F)F)F)N

DOS

IR

Vibrations