Geometry & MOs

Info

ID:	123931
PubChem CID:	50865803
Reduced:	ON2C23H28 (1)
Stoich.:	AB2C23D28 (1)
Weight, g/mol:	562.240248
ΔH_f, kcal/mol:	0.69
Dipole, Da:	5.67
IP(EA), eV:	-7.81(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N=CC2=CC3=C(C=C2OC)N(C(C=C3C)(C)C)C

DOS

IR

Vibrations