Geometry & MOs

Info

ID:	64621
PubChem CID:	29203351
Reduced:	ClS2N3O5H18C20 (1)
Stoich.:	AB2C3D5E18F20 (1)
Weight, g/mol:	477.99982
ΔH_f, kcal/mol:	-124.6
Dipole, Da:	9.35
IP(EA), eV:	-8.99(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations