Geometry & MOs

Info

ID:	54601
PubChem CID:	17388969
Reduced:	BrS2N3O3C28H32 (1)
Stoich.:	AB2C3D3E28F32 (1)
Weight, g/mol:	675.14363
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	6.92
IP(EA), eV:	-8.29(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=NC3=CC=C(C=C3)OCC)N2CC4=CC=CC=C4.Br

DOS

IR

Vibrations