Geometry & MOs

Info

ID:	171185
PubChem CID:	75340818
Reduced:	BrClNSO6H23C24 (1)
Stoich.:	ABCDE6F23G24 (1)
Weight, g/mol:	504.067734
ΔH_f, kcal/mol:	-199.48
Dipole, Da:	4.47
IP(EA), eV:	-9.14(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OC(C)C)Br)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations