Geometry & MOs

Info

ID:	226889
PubChem CID:	87558799
Reduced:	NSC6O8H13 (1)
Stoich.:	ABC6D8E13 (1)
Weight, g/mol:	219.080339
ΔH_f, kcal/mol:	-332.72
Dipole, Da:	5.21
IP(EA), eV:	-10.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1H-imidazol-3-ium-3-yl)pentane-1-sulfonic acid

Drug info:

PubChemData

Smile

C([C@H]([C@H]([C@@H]([C@H](C=O)OS(=O)(=O)N)O)O)O)O

DOS

IR

Vibrations