Geometry & MOs

Info

ID:	123739
PubChem CID:	50860487
Reduced:	ON4C26H36 (1)
Stoich.:	AB4C26D36 (1)
Weight, g/mol:	497.11365
ΔH_f, kcal/mol:	-22.48
Dipole, Da:	6.52
IP(EA), eV:	-7.9(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-(4-bromoanilino)-5-[(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)/C=N\NC(=O)CNC3=CC(=C(C=C3)C)C)C(CC1(C)C)C

DOS

IR

Vibrations