Geometry & MOs

Info

ID:	228107
PubChem CID:	87563462
Reduced:	BrClOSSiC11H14 (1)
Stoich.:	ABCDEF11G14 (1)
Weight, g/mol:	483.088932
ΔH_f, kcal/mol:	-32.01
Dipole, Da:	3.81
IP(EA), eV:	-7.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-acetamido-2-amino-2-[1,4-bis(1-sulfoethyl)piperazin-1-ium-1-yl]ethanesulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CCO[Si]CCCS)Br

DOS

IR

Vibrations