Geometry & MOs

Info

ID:	343255
PubChem CID:	127266428
Reduced:	ClSN3O4C12H18 (1)
Stoich.:	ABC3D4E12F18 (1)
Weight, g/mol:	511.97277
ΔH_f, kcal/mol:	-178.98
Dipole, Da:	5.76
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-(2,4-dichlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]benzoate;hydrobromide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC(=NC=C2)NCCC(=O)O.Cl

DOS

IR

Vibrations