Geometry & MOs

Info

ID:	54760
PubChem CID:	17389215
Reduced:	BrClO2N3S3H21C25 (1)
Stoich.:	ABC2D3E3F21G25 (1)
Weight, g/mol:	541.87114
ΔH_f, kcal/mol:	6.52
Dipole, Da:	4.79
IP(EA), eV:	-8.67(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-(5-bromothiophen-2-yl)-N-(4-chlorophenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N=C3N(C(=CS3)C4=CC=C(S4)Cl)CCC5=CC=C(C=C5)S(=O)(=O)N.Br

DOS

IR

Vibrations