Geometry & MOs

Info

ID:	123860
PubChem CID:	50863160
Reduced:	ClOSN3C26H30 (1)
Stoich.:	ABCD3E26F30 (1)
Weight, g/mol:	467.179812
ΔH_f, kcal/mol:	-1.19
Dipole, Da:	5.95
IP(EA), eV:	-8.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)C)C(CC1(C)C)C

DOS

IR

Vibrations