Geometry & MOs

Info

ID:	177521
PubChem CID:	76197104
Reduced:	ClZnN2O4C18H21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	316.054945
ΔH_f, kcal/mol:	-114.6
Dipole, Da:	2.86
IP(EA), eV:	-8.52(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-3-(pyridin-3-ylmethylideneamino)-1,3-thiazol-2-imine;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C1C)C=C2C(=C(C(=N2)Cl)C)C(=O)OCC)C.[Zn+2]

DOS

IR

Vibrations