Geometry & MOs

Info

ID:	123851
PubChem CID:	50863151
Reduced:	ClON2S2C19H23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	487.125189
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	9.56
IP(EA), eV:	-8.33(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(3-chloroanilino)-5-[(7-chloro-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)Cl)/C=C\3/C(=O)NC(=S)S3)C(CC1(C)C)C

DOS

IR

Vibrations