Geometry & MOs

Info

ID:	27546
PubChem CID:	821978
Reduced:	SO3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	268.056288
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	3.49
IP(EA), eV:	-9.89(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-7-chloro-2-methyl-1,3-dihydro-[1]benzothiolo[2,3-c]pyrrol-2-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

CC(=O)C(=CC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations