Geometry & MOs

Info

ID:	123894
PubChem CID:	50864370
Reduced:	OSN3C29H39 (1)
Stoich.:	ABC3D29E39 (1)
Weight, g/mol:	447.198048
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	3.56
IP(EA), eV:	-7.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(2-methoxyethyl)-2-phenylimino-5-[(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)/C=C/3\C(=O)N(C(=NC4CCCCC4)S3)C5CCCCC5)C)(C)C

DOS

IR

Vibrations