Geometry & MOs

Info

ID:	124151
PubChem CID:	50873527
Reduced:	ClFS2N3O3H13C17 (1)
Stoich.:	ABC2D3E3F13G17 (1)
Weight, g/mol:	388.018764
ΔH_f, kcal/mol:	-47.29
Dipole, Da:	2.53
IP(EA), eV:	-9.16(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(4-methoxyphenyl)-5-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)/C(=C\C2=CC(=C(C=C2)OC3=NC(=NC=C3F)Cl)OC)/SC1=S

DOS

IR

Vibrations