Geometry & MOs

Info

ID:	123720
PubChem CID:	50859626
Reduced:	ClFSO2N3H23C24 (1)
Stoich.:	ABCD2E3F23G24 (1)
Weight, g/mol:	423.178062
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	11.66
IP(EA), eV:	-8.56(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C\3/C(=O)NC(=S)N(C3=O)C4=CC(=CC=C4)Cl)C)(C)C

DOS

IR

Vibrations