Geometry & MOs

Info

ID:	168240
PubChem CID:	74940253
Reduced:	NO7C26H26 (1)
Stoich.:	AB7C26D26 (1)
Weight, g/mol:	294.054852
ΔH_f, kcal/mol:	-170.83
Dipole, Da:	9.98
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769246
Charge, e:	-1

Chem-info

IUPAC name:

5-(2-acetyloxyethyl)-2-(furan-2-ylmethylidenehydrazinylidene)-5H-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

COCCCN1C(C(=C(C2=CC=C(C=C2)OCC=C)[O-])C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations