Geometry & MOs

Info

ID:	373
PubChem CID:	2670
Reduced:	N2S2O6H15C16 (1)
Stoich.:	A2B2C6D15E16 (1)
Weight, g/mol:	395.037154
ΔH_f, kcal/mol:	-137.18
Dipole, Da:	3.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786750
Charge, e:	-1

Chem-info

IUPAC name:

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(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

DOS

IR

Vibrations