Geometry & MOs

Info

ID:	216294
PubChem CID:	85086005
Reduced:	ClFO3N4C7H9 (1)
Stoich.:	ABC3D4E7F9 (1)
Weight, g/mol:	249.979964
ΔH_f, kcal/mol:	-139.57
Dipole, Da:	3.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755101
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(1-chloroprop-1-enyl)-1-hydroxy-4-oxocyclopent-2-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=[N+](C(=O)N(C(=O)C1F)NC(=O)N)CCCl

DOS

IR

Vibrations