Geometry & MOs

Info

ID:	199173
PubChem CID:	79209437
Reduced:	SN2O4C13H14 (1)
Stoich.:	AB2C4D13E14 (1)
Weight, g/mol:	297.056799
ΔH_f, kcal/mol:	-135.73
Dipole, Da:	9.56
IP(EA), eV:	-9.35(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]cyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(S1)C(=O)NC2CC(C=C2)C(=O)O

DOS

IR

Vibrations