Geometry & MOs

Info

ID:	41111
PubChem CID:	8145273
Reduced:	SO2N4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	398.165071
ΔH_f, kcal/mol:	46.09
Dipole, Da:	10.09
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-3-yl-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=CC=CC=C2S1)N(C)CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations