Geometry & MOs

Info

ID:	400057
PubChem CID:	135044891
Reduced:	OSN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	133.068711
ΔH_f, kcal/mol:	68.51
Dipole, Da:	6.16
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R,5R)-1-hydroxy-2,5-dimethylthiolan-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=N)(=O)/C=C/C2=CC=CC=N2

DOS

IR

Vibrations