Geometry & MOs

Info

ID:	55579
PubChem CID:	17395591
Reduced:	BrOSN5C20H20 (1)
Stoich.:	ABCD5E20F20 (1)
Weight, g/mol:	403.112126
ΔH_f, kcal/mol:	63.34
Dipole, Da:	1.09
IP(EA), eV:	-8.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=N2)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)Br

DOS

IR

Vibrations