Geometry & MOs

Info

ID:	137255
PubChem CID:	52177889
Reduced:	NOF3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	271.135448
ΔH_f, kcal/mol:	-178.86
Dipole, Da:	14.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824004
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=CC=C1)C(F)(F)F)[NH+]2CCC[C@@H](C2)O

DOS

IR

Vibrations