Geometry & MOs

Info

ID:	124115
PubChem CID:	50872810
Reduced:	ClNO2S2H12C20 (1)
Stoich.:	ABC2D2E12F20 (1)
Weight, g/mol:	431.026155
ΔH_f, kcal/mol:	37.16
Dipole, Da:	4.75
IP(EA), eV:	-8.84(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations