Geometry & MOs

Info

ID:	123852
PubChem CID:	50863152
Reduced:	OSCl2N3C25H27 (1)
Stoich.:	ABC2D3E25F27 (1)
Weight, g/mol:	531.07467
ΔH_f, kcal/mol:	-0.68
Dipole, Da:	4.91
IP(EA), eV:	-8.08(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-bromoanilino)-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)N=C(S3)NC4=CC(=CC=C4)Cl)C(CC1(C)C)C

DOS

IR

Vibrations