Geometry & MOs

Info

ID:	38437
PubChem CID:	8059079
Reduced:	OSN4C19H28 (1)
Stoich.:	ABC4D19E28 (1)
Weight, g/mol:	269.052193
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	6.51
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,5S)-2-(2-fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)CC

DOS

IR

Vibrations