Geometry & MOs

Info

ID:	168581
PubChem CID:	74990185
Reduced:	NNaSO8H14C16 (1)
Stoich.:	ABCD8E14F16 (1)
Weight, g/mol:	381.051838
ΔH_f, kcal/mol:	-335.89
Dipole, Da:	12.81
IP(EA), eV:	-8.86(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,4-dihydroxybenzoyl)oxymethyl]-6-(1-hydroxyethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1C2N(C1=O)C(=C(S2)COC(=O)C3=CC(=C(C=C3)O)O)C(=O)[O-])O.[Na+]

DOS

IR

Vibrations