Geometry & MOs

Info

ID:	40820
PubChem CID:	8144752
Reduced:	SO2N3H17C24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	378.218152
ΔH_f, kcal/mol:	64.34
Dipole, Da:	7.01
IP(EA), eV:	-8.49(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C/C(=N/NC1=NC(=CS1)C2=CC3=CC=CC=C3OC2=O)/C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations