Geometry & MOs

Info

ID:	23851
PubChem CID:	606747
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	346.135114
ΔH_f, kcal/mol:	-71.35
Dipole, Da:	3.29
IP(EA), eV:	-8.68(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C2=NC(=O)C(=CC3=C(C=C(C=C3)OC)OC)S2

DOS

IR

Vibrations