Geometry & MOs

Info

ID:	54832
PubChem CID:	17389370
Reduced:	SO2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	353.094646
ΔH_f, kcal/mol:	36.18
Dipole, Da:	13.59
IP(EA), eV:	-7.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethylpyridin-1-ium-1-yl)-5-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-2-olate

Drug info:

PubChemData

Smile

CC1=C(C=[N+](C=C1)C2=C(SC(=N2)[O-])/C=N/NC(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations