Geometry & MOs

Info

ID:	234847
PubChem CID:	92303598
Reduced:	ClN2O3H23C24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	420.130777
ΔH_f, kcal/mol:	-77.2
Dipole, Da:	3.1
IP(EA), eV:	-9.42(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C([C@@H](CC(=O)N1CC2=CC(=CC=C2)C#N)C3=CC=C(C=C3)Cl)C(=O)OC(C)C

DOS

IR

Vibrations