Geometry & MOs

Info

ID:	173624
PubChem CID:	75664070
Reduced:	S2O6N7H15C19 (1)
Stoich.:	A2B6C7D15E19 (1)
Weight, g/mol:	414.03153
ΔH_f, kcal/mol:	95.0
Dipole, Da:	39.8
IP(EA), eV:	-7.51(-5.61)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[(2-chloro-5-nitrophenyl)methylidene]-2-[2-(4-methylanilino)-2-oxoethylidene]-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)NN=C(C#N)C(=NC3=CC=C(C=C3)S(=O)(=O)N)[O-]

DOS

IR

Vibrations