Geometry & MOs

Info

ID:	54607
PubChem CID:	17388979
Reduced:	BrClS2N3O5C23H27 (1)
Stoich.:	ABC2D3E5F23G27 (1)
Weight, g/mol:	535.09628
ΔH_f, kcal/mol:	-154.24
Dipole, Da:	3.78
IP(EA), eV:	-8.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-ethyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCN1C(=CSC1=NC2=CC(=C(C=C2OC)Cl)OC)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Br

DOS

IR

Vibrations