Geometry & MOs

Info

ID:	123843
PubChem CID:	50863102
Reduced:	ClN4O4C24H29 (1)
Stoich.:	AB4C4D24E29 (1)
Weight, g/mol:	487.125189
ΔH_f, kcal/mol:	-40.85
Dipole, Da:	14.4
IP(EA), eV:	-8.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-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=N/NC(=O)COC3=CC=CC=C3[N+](=O)[O-])C(CC1(C)C)C

DOS

IR

Vibrations