Geometry & MOs

Info

ID:	123794
PubChem CID:	50862192
Reduced:	NC11H14 (2)
Stoich.:	AB11C14 (2)
Weight, g/mol:	468.163827
ΔH_f, kcal/mol:	33.39
Dipole, Da:	4.8
IP(EA), eV:	-7.81(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[(4-chlorophenyl)methyl]-5-[(2,2,4-trimethyl-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=NC3=CC=CC=C3)C(CC1(C)C)C

DOS

IR

Vibrations