Geometry & MOs

Info

ID:	123967
PubChem CID:	50868006
Reduced:	O2N3C26H29 (1)
Stoich.:	A2B3C26D29 (1)
Weight, g/mol:	445.218784
ΔH_f, kcal/mol:	-12.01
Dipole, Da:	8.43
IP(EA), eV:	-8.16(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(3,5-dimethylanilino)-5-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C(\C#N)/C(=O)NC3=CC=CC=C3C)C(=CC1(C)C)C

DOS

IR

Vibrations