Geometry & MOs

Info

ID:	2150
PubChem CID:	6023
Reduced:	NaN2S2O6H15C16 (1)
Stoich.:	AB2C2D6E15F16 (1)
Weight, g/mol:	418.026923
ΔH_f, kcal/mol:	-249.37
Dipole, Da:	2.68
IP(EA), eV:	-8.86(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;(6R,7R)-3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-].[Na+]

DOS

IR

Vibrations