Geometry & MOs

Info

ID:	54606
PubChem CID:	17388978
Reduced:	BrClS2N3O3C22H25 (1)
Stoich.:	ABC2D3E3F22G25 (1)
Weight, g/mol:	603.0264
ΔH_f, kcal/mol:	-74.7
Dipole, Da:	2.59
IP(EA), eV:	-8.65(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,5-dimethoxyphenyl)-3-ethyl-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCN1C(=CSC1=NC2=CC(=C(C=C2)C)Cl)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4.Br

DOS

IR

Vibrations