Geometry & MOs

Info

ID:	188339
PubChem CID:	77701329
Reduced:	O2N3C6H9 (2)
Stoich.:	A2B3C6D9 (2)
Weight, g/mol:	219.056529
ΔH_f, kcal/mol:	-13.9
Dipole, Da:	4.36
IP(EA), eV:	-8.8(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-carboxyethylsulfanyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C2NNNN2

DOS

IR

Vibrations