Geometry & MOs

Info

ID:	172898
PubChem CID:	75568483
Reduced:	ClON3C26H28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	557.05394
ΔH_f, kcal/mol:	20.6
Dipole, Da:	5.58
IP(EA), eV:	-8.23(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=C(C#N)C(=O)NCC3=CC=CC=C3)C(=CC1(C)C)C

DOS

IR

Vibrations