Geometry & MOs

Info

ID:	123864
PubChem CID:	50863164
Reduced:	ClOF3N3C25H29 (1)
Stoich.:	ABC3D3E25F29 (1)
Weight, g/mol:	451.209362
ΔH_f, kcal/mol:	-173.48
Dipole, Da:	4.74
IP(EA), eV:	-7.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)CC3=CC(=CC=C3)C(F)(F)F)C(CC1(C)C)C

DOS

IR

Vibrations