Geometry & MOs

Info

ID:	87116
PubChem CID:	49892269
Reduced:	ClFNSO3H19C28 (1)
Stoich.:	ABCDE3F19G28 (1)
Weight, g/mol:	484.146821
ΔH_f, kcal/mol:	-67.31
Dipole, Da:	2.65
IP(EA), eV:	-8.93(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F)OCC5=CC=CC=C5Cl

DOS

IR

Vibrations