Geometry & MOs

Info

ID:	123909
PubChem CID:	50865115
Reduced:	ClOSN3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	437.132861
ΔH_f, kcal/mol:	34.5
Dipole, Da:	2.34
IP(EA), eV:	-8.06(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)Cl)/C=C/3\C(=O)N=C(S3)NC4=CC=CC=C4)C)(C)C

DOS

IR

Vibrations