Geometry & MOs

Info

ID:	232909
PubChem CID:	87577595
Reduced:	NO4C6H11 (1)
Stoich.:	AB4C6D11 (1)
Weight, g/mol:	287.082744
ΔH_f, kcal/mol:	-110.96
Dipole, Da:	4.0
IP(EA), eV:	-9.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonic acid;(2R)-pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(N[C@@H]1C(=O)OO)CO

DOS

IR

Vibrations