Geometry & MOs

Info

ID:	124142
PubChem CID:	50873484
Reduced:	Cl2S2N3O3H15C22 (1)
Stoich.:	A2B2C3D3E15F22 (1)
Weight, g/mol:	334.990856
ΔH_f, kcal/mol:	44.75
Dipole, Da:	12.64
IP(EA), eV:	-8.84(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-fluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)/C=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations