Geometry & MOs

Info

ID:	123992
PubChem CID:	50869140
Reduced:	ClIN2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	404.132527
ΔH_f, kcal/mol:	55.43
Dipole, Da:	6.79
IP(EA), eV:	-8.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=NC3=CC=C(C=C3)I)C(=CC1(C)C)C

DOS

IR

Vibrations