Geometry & MOs

Info

ID:	123674
PubChem CID:	50858419
Reduced:	BrON3C22H26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	483.138341
ΔH_f, kcal/mol:	6.78
Dipole, Da:	6.25
IP(EA), eV:	-8.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)C)/C=N\NC(=O)C3=CC(=CC=C3)Br)C)(C)C

DOS

IR

Vibrations