Geometry & MOs

Info

ID:	168451
PubChem CID:	74969398
Reduced:	NNaSO9H12C13 (1)
Stoich.:	ABCD9E12F13 (1)
Weight, g/mol:	359.031102
ΔH_f, kcal/mol:	-364.4
Dipole, Da:	6.02
IP(EA), eV:	-9.26(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-(2-methoxy-2-oxoethylidene)-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(=CC(=O)OC)C2=O)S(=O)(=O)C1)C(=O)[O-].[Na+]

DOS

IR

Vibrations