Geometry & MOs

Info

ID:	136546
PubChem CID:	52060052
Reduced:	SO2N5C25H31 (1)
Stoich.:	AB2C5D25E31 (1)
Weight, g/mol:	377.201122
ΔH_f, kcal/mol:	23.67
Dipole, Da:	3.13
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-4-methylpentan-2-yl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2CCN(CC2)CC3=CC=CC=C3)CC4=NC(=NO4)C5=CC=CS5

DOS

IR

Vibrations