Geometry & MOs

Info

ID:	54599
PubChem CID:	17388965
Reduced:	BrS2N3O6C31H36 (1)
Stoich.:	AB2C3D6E31F36 (1)
Weight, g/mol:	647.06787
ΔH_f, kcal/mol:	-155.47
Dipole, Da:	3.94
IP(EA), eV:	-8.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)CCC5=CC(=C(C=C5)OC)OC.Br

DOS

IR

Vibrations