Geometry & MOs

Info

ID:	169608
PubChem CID:	75125601
Reduced:	ClFSN2O3H16C20 (1)
Stoich.:	ABCD2E3F16G20 (1)
Weight, g/mol:	428.120607
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	2.36
IP(EA), eV:	-9.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NCCN2C(=O)C(=CC3=CC=C(C=C3)F)SC2=O)Cl

DOS

IR

Vibrations