Geometry & MOs

Info

ID:	173429
PubChem CID:	75637058
Reduced:	ClSO3N4H12C18 (1)
Stoich.:	ABC3D4E12F18 (1)
Weight, g/mol:	249.01563
ΔH_f, kcal/mol:	-0.82
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.083815
Charge, e:	-1

Chem-info

IUPAC name:

5-[(4-methylanilino)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC=C2C(=NC(=S)N(C2=O)C3=CC=CC=C3Cl)[O-]

DOS

IR

Vibrations