Geometry & MOs

Info

ID:	133647
PubChem CID:	51568861
Reduced:	ClFOSN5H16C18 (1)
Stoich.:	ABCDE5F16G18 (1)
Weight, g/mol:	239.961152
ΔH_f, kcal/mol:	5.51
Dipole, Da:	2.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.921632
Charge, e:	-1

Chem-info

IUPAC name:

(5Z)-5-[(5-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1NC2=NC(=NC(=[NH+]2)N)CC(=O)CSC3=CC=C(C=C3)Cl)F

DOS

IR

Vibrations