Geometry & MOs

Info

ID:	166813
PubChem CID:	74737051
Reduced:	SN2O6C17H24 (1)
Stoich.:	AB2C6D17E24 (1)
Weight, g/mol:	436.12358
ΔH_f, kcal/mol:	-235.04
Dipole, Da:	5.61
IP(EA), eV:	-9.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N,N-diethylpiperidin-1-ium-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CC2C(C(C(O2)CNS(=O)(=O)C3=CC=CC=C3)O)O

DOS

IR

Vibrations