Geometry & MOs

Info

ID:	169607
PubChem CID:	75125573
Reduced:	ClNO3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	418.055419
ΔH_f, kcal/mol:	-104.42
Dipole, Da:	2.52
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-N-[2-[5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C=CC2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations