Geometry & MOs

Info

ID:	22203
PubChem CID:	596276
Reduced:	BrSN2Cl3O7C12H12 (1)
Stoich.:	ABC2D3E7F12G12 (1)
Weight, g/mol:	511.86142
ΔH_f, kcal/mol:	-266.42
Dipole, Da:	1.91
IP(EA), eV:	-9.93(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl 3-(bromomethyl)-7-(methoxycarbonylamino)-5,5,8-trioxo-5lambda6-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)NC1C2N(C1=O)C(=C(CS2(=O)=O)CBr)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations