Geometry & MOs

Info

ID:	233553
PubChem CID:	91145439
Reduced:	N2S2O7H14C20 (1)
Stoich.:	A2B2C7D14E20 (1)
Weight, g/mol:	299.05605
ΔH_f, kcal/mol:	-154.26
Dipole, Da:	11.43
IP(EA), eV:	-8.93(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-[(4-chlorophenyl)methoxy]pyrrolidine-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2NN=C3C=CC4=C(C3=O)C(=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations