Geometry & MOs

Info

ID:	40247
PubChem CID:	8143807
Reduced:	SO2N5C22H23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	268.057829
ΔH_f, kcal/mol:	30.46
Dipole, Da:	3.14
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(pyrrolidin-1-ium-1-ylmethyl)-5-thiophen-2-yl-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3N4C2=NN(C4=S)CN5CCCC5

DOS

IR

Vibrations