Geometry & MOs

Info

ID:	123947
PubChem CID:	50867274
Reduced:	ClOSN3C26H28 (1)
Stoich.:	ABCD3E26F28 (1)
Weight, g/mol:	449.193712
ΔH_f, kcal/mol:	13.35
Dipole, Da:	2.55
IP(EA), eV:	-7.91(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(3,5-dimethylanilino)-5-[(1-ethyl-7-fluoro-2,2,4-trimethylquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=C(C=C(C=C4)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations