Geometry & MOs

Info

ID:	14194
PubChem CID:	406301
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	5.4
IP(EA), eV:	-8.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,5-dimethoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C=C2C(=O)N=C(S2)N3CCCCC3

DOS

IR

Vibrations