Geometry & MOs

Info

ID:	168710
PubChem CID:	75006328
Reduced:	Cl3N3O5H10C18 (1)
Stoich.:	A3B3C5D10E18 (1)
Weight, g/mol:	326.066888
ΔH_f, kcal/mol:	-71.68
Dipole, Da:	8.04
IP(EA), eV:	-9.47(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

potassium;6-(1-hydroxyethyl)-4-methyl-7-oxo-3-pyridin-3-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)[N+](=O)[O-])Cl

DOS

IR

Vibrations