Geometry & MOs

Info

ID:	124114
PubChem CID:	50872809
Reduced:	OF2N2S2H16C25 (1)
Stoich.:	AB2C2D2E16F25 (1)
Weight, g/mol:	396.999799
ΔH_f, kcal/mol:	-0.22
Dipole, Da:	6.99
IP(EA), eV:	-8.48(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=C/4\C(=O)N(C(=S)S4)C5=CC=C(C=C5)F)F

DOS

IR

Vibrations