Geometry & MOs

Info

ID:	233049
PubChem CID:	87691856
Reduced:	SO6C8H10 (1)
Stoich.:	AB6C8D10 (1)
Weight, g/mol:	410.060629
ΔH_f, kcal/mol:	-201.91
Dipole, Da:	4.04
IP(EA), eV:	-10.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-bis(benzenesulfonyl)piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C=CC(/C(=C/S(=O)(=O)O)/OC=C)C(=O)O

DOS

IR

Vibrations