Geometry & MOs

Info

ID:	226154
PubChem CID:	87325930
Reduced:	NO4C8H9 (1)
Stoich.:	AB4C8D9 (1)
Weight, g/mol:	476.16306
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	4.75
IP(EA), eV:	-10.38(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[2-[(3S)-3-[(8-methoxyquinolin-2-yl)methylamino]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=C(N=CO1)CC(CC=O)C(=O)O

DOS

IR

Vibrations