Geometry & MOs

Info

ID:	123829
PubChem CID:	50862822
Reduced:	SN2O2C24H32 (1)
Stoich.:	AB2C2D24E32 (1)
Weight, g/mol:	400.218449
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	7.2
IP(EA), eV:	-7.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-propyl-5-[(2,2,4,7-tetramethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations