Geometry & MOs

Info

ID:	134333
PubChem CID:	51682302
Reduced:	ClSO2N4C11H20 (1)
Stoich.:	ABC2D4E11F20 (1)
Weight, g/mol:	307.09955
ΔH_f, kcal/mol:	-30.31
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.912892
Charge, e:	1

Chem-info

IUPAC name:

4-chloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-1H-imidazol-3-ium-5-sulfonamide

Drug info:

PubChemData

Smile

CC[NH+]1CCC[C@H]1C[N-]S(=O)(=O)C2=C([N+](=CN2)C)Cl

DOS

IR

Vibrations