Geometry & MOs

Info

ID:	166854
PubChem CID:	74744957
Reduced:	OSN5C13H21 (1)
Stoich.:	ABC5D13E21 (1)
Weight, g/mol:	443.208316
ΔH_f, kcal/mol:	77.85
Dipole, Da:	11.76
IP(EA), eV:	-6.13(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C[NH+](C)CN1C(=S)[NH+]2C=CC=CC2=N1

DOS

IR

Vibrations