Geometry & MOs

Info

ID:	147672
PubChem CID:	53787329
Reduced:	ClN2O7C12H23 (1)
Stoich.:	AB2C7D12E23 (1)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-325.53
Dipole, Da:	4.62
IP(EA), eV:	-9.85(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COCCN(C1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C(=O)NCCCl

DOS

IR

Vibrations