Geometry & MOs

Info

ID:	123844
PubChem CID:	50863144
Reduced:	OSCl2N3C25H27 (1)
Stoich.:	ABC2D3E25F27 (1)
Weight, g/mol:	521.086217
ΔH_f, kcal/mol:	-4.59
Dipole, Da:	5.55
IP(EA), eV:	-8.09(-0.98)
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-(2,3-dichloroanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations