Geometry & MOs

Info

ID:	123880
PubChem CID:	50863671
Reduced:	BrClFN2C22H25 (1)
Stoich.:	ABCD2E22F25 (1)
Weight, g/mol:	485.17039
ΔH_f, kcal/mol:	-20.93
Dipole, Da:	8.54
IP(EA), eV:	-8.29(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)F)C=NC3=CC(=C(C=C3)Br)Cl)C(CC1(C)C)C

DOS

IR

Vibrations