Geometry & MOs

Info

ID:	182399
PubChem CID:	76884436
Reduced:	ClSN2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	414.12811
ΔH_f, kcal/mol:	-48.0
Dipole, Da:	3.86
IP(EA), eV:	-9.15(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C=CC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations