Geometry & MOs

Info

ID:	199170
PubChem CID:	79209332
Reduced:	NS2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-74.74
Dipole, Da:	6.54
IP(EA), eV:	-8.75(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-phenoxyacetyl)amino]cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)O)NS(=O)(=O)C2=CC=CS2

DOS

IR

Vibrations