Geometry & MOs

Info

ID:	123934
PubChem CID:	50865893
Reduced:	N3O3C29H31 (1)
Stoich.:	A3B3C29D31 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	10.06
IP(EA), eV:	-7.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-ethyl-2-ethylimino-5-[(7-methoxy-1,2,2,4-tetramethylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(N(C2=C1C=C(C(=C2)OC)/C=N/NC(=O)COC3=CC=C(C=C3)C4=CC=CC=C4)C)(C)C

DOS

IR

Vibrations