Geometry & MOs

Info

ID:	171214
PubChem CID:	75344372
Reduced:	BrClSN3O5H21C24 (1)
Stoich.:	ABCD3E5F21G24 (1)
Weight, g/mol:	647.87106
ΔH_f, kcal/mol:	-143.18
Dipole, Da:	7.59
IP(EA), eV:	-9.02(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylidene]-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC(=O)NC4=CC=C(C=C4)Cl)Br)SC2=O

DOS

IR

Vibrations