Geometry & MOs

Info

ID:	376066
PubChem CID:	134222068
Reduced:	ClNC23H24 (1)
Stoich.:	ABC23D24 (1)
Weight, g/mol:	479.120272
ΔH_f, kcal/mol:	46.3
Dipole, Da:	2.88
IP(EA), eV:	-8.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-2,4-dioxo-1,3-thiazolidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(C)/C=C/C2=CC=C(C3=CC=CC=C23)CNC

DOS

IR

Vibrations