Geometry & MOs

Info

ID:	54608
PubChem CID:	17388981
Reduced:	BrO2S2N3C24H30 (1)
Stoich.:	AB2C2D3E24F30 (1)
Weight, g/mol:	523.09628
ΔH_f, kcal/mol:	-64.81
Dipole, Da:	6.58
IP(EA), eV:	-8.82(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=CSC1=NC2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4.Br

DOS

IR

Vibrations