Geometry & MOs

Info

ID:	146269
PubChem CID:	53662306
Reduced:	OS3C8H14 (1)
Stoich.:	AB3C8D14 (1)
Weight, g/mol:	473.961076
ΔH_f, kcal/mol:	5.54
Dipole, Da:	6.08
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (6S)-7-(1,3-dioxoisoindol-2-yl)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCS(=O)CC#CSSCC

DOS

IR

Vibrations