Geometry & MOs

Info

ID:	234868
PubChem CID:	92303628
Reduced:	SN2O3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	410.090055
ΔH_f, kcal/mol:	-43.42
Dipole, Da:	4.77
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2[C@@H](SCC2=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations