Geometry & MOs

Info

ID:	123908
PubChem CID:	50865114
Reduced:	ClO3N4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	423.117211
ΔH_f, kcal/mol:	-82.44
Dipole, Da:	6.39
IP(EA), eV:	-8.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C\C3=CC4=C(C=C3Cl)N(C(C=C4C)(C)C)C)/NC2=O

DOS

IR

Vibrations