Geometry & MOs

Info

ID:	235038
PubChem CID:	92303929
Reduced:	ClN2O3H19C22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	406.115127
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	4.53
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2S)-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C([C@H](CC(=O)N1CC2=CC(=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)OC

DOS

IR

Vibrations