Geometry & MOs

Info

ID:	234855
PubChem CID:	92303609
Reduced:	SN2O3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	420.130777
ΔH_f, kcal/mol:	-90.63
Dipole, Da:	1.18
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](C(=O)OCC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3C

DOS

IR

Vibrations