Geometry & MOs

Info

ID:	123717
PubChem CID:	50859579
Reduced:	FOSN3C25H28 (1)
Stoich.:	ABCD3E25F28 (1)
Weight, g/mol:	439.172976
ΔH_f, kcal/mol:	-39.29
Dipole, Da:	2.54
IP(EA), eV:	-8.02(-0.72)
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-methoxyanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)/C=C/3\C(=O)N=C(S3)NC4=C(C=C(C=C4)C)C)C)(C)C

DOS

IR

Vibrations