Geometry & MOs

Info

ID:	166852
PubChem CID:	74744955
Reduced:	SO2N6H25C27 (1)
Stoich.:	AB2C6D25E27 (1)
Weight, g/mol:	282.218152
ΔH_f, kcal/mol:	99.5
Dipole, Da:	12.65
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.018747
Charge, e:	1

Chem-info

IUPAC name:

3-[(2-ethylpiperidin-1-ium-1-yl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC2=NC(=O)C3C(=N2)C=CS3)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations