Geometry & MOs

Info

ID:	27139
PubChem CID:	815321
Reduced:	OSN2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	334.054277
ΔH_f, kcal/mol:	-49.22
Dipole, Da:	5.77
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenoxy)-1-[(2S)-2-pyridin-4-yl-1,3-thiazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N1CCS[C@H]1C2=CC=NC=C2)CC(C)(C)C

DOS

IR

Vibrations