Geometry & MOs

Info

ID:	123998
PubChem CID:	50869280
Reduced:	BrClN2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	449.193712
ΔH_f, kcal/mol:	37.86
Dipole, Da:	4.09
IP(EA), eV:	-8.07(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-fluoro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2-(4-methylanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=NC3=CC=CC=C3Br)C(=CC1(C)C)C

DOS

IR

Vibrations