Geometry & MOs

Info

ID:	123660
PubChem CID:	50858138
Reduced:	ClOSN3C23H24 (1)
Stoich.:	ABCD3E23F24 (1)
Weight, g/mol:	439.148511
ΔH_f, kcal/mol:	20.86
Dipole, Da:	5.84
IP(EA), eV:	-7.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations