Geometry & MOs

Info

ID:	64225
PubChem CID:	29198576
Reduced:	BrSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	455.082092
ΔH_f, kcal/mol:	-77.6
Dipole, Da:	5.96
IP(EA), eV:	-8.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(benzenesulfonamido)acetate

Drug info:

PubChemData

Smile

C1COCCN1[C@H](CNS(=O)(=O)C2=CC=CC=C2Br)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations