Geometry & MOs

Info

ID:	124011
PubChem CID:	50869878
Reduced:	ION2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	22.92
Dipole, Da:	7.94
IP(EA), eV:	-7.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations