Geometry & MOs

Info

ID:	137914
PubChem CID:	52283593
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	291.15311
ΔH_f, kcal/mol:	-90.17
Dipole, Da:	8.83
IP(EA), eV:	-8.27(0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-tert-butyl-2-[[(2S)-2-thiophen-3-ylpyrrolidin-1-ium-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CS(=O)(=O)N[C@H]1CCCN(C1)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations