Geometry & MOs

Info

ID:	54600
PubChem CID:	17388967
Reduced:	BrClS2N3O3C29H31 (1)
Stoich.:	ABC2D3E3F29G31 (1)
Weight, g/mol:	601.10685
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	6.92
IP(EA), eV:	-8.73(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-benzyl-2-(4-ethoxyphenyl)imino-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2C(=CSC2=NC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N5CCCCC5.Br

DOS

IR

Vibrations