Geometry & MOs

Info

ID:	54597
PubChem CID:	17388963
Reduced:	BrClS2N3O4C27H27 (1)
Stoich.:	ABC2D3E4F27G27 (1)
Weight, g/mol:	619.03657
ΔH_f, kcal/mol:	-73.81
Dipole, Da:	2.42
IP(EA), eV:	-8.55(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-3-(2-phenylethyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)CC5=CC=C(C=C5)Cl.Br

DOS

IR

Vibrations