Geometry & MOs

Info

ID:	146279
PubChem CID:	53663949
Reduced:	ON3H11C16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	489.982684
ΔH_f, kcal/mol:	76.66
Dipole, Da:	2.02
IP(EA), eV:	-9.4(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-[acetyloxy-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)COC3=C(C=CC=N3)C#N

DOS

IR

Vibrations