Geometry & MOs

Info

ID:	54598
PubChem CID:	17388964
Reduced:	BrClS2N3O3C27H27 (1)
Stoich.:	ABC2D3E3F27G27 (1)
Weight, g/mol:	689.12289
ΔH_f, kcal/mol:	-45.64
Dipole, Da:	2.74
IP(EA), eV:	-8.76(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-ethoxyphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC(=CC=C4)Cl)N3CCC5=CC=CC=C5.Br

DOS

IR

Vibrations