Geometry & MOs

Info

ID:	123968
PubChem CID:	50868117
Reduced:	OSN3C27H31 (1)
Stoich.:	ABC3D27E31 (1)
Weight, g/mol:	544.287198
ΔH_f, kcal/mol:	15.64
Dipole, Da:	2.39
IP(EA), eV:	-7.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(3-morpholin-4-ylpropyl)-2-phenylimino-5-[(2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=C/3\C(=O)N=C(S3)NC4=CC(=CC(=C4)C)C)C(=CC1(C)C)C

DOS

IR

Vibrations