Geometry & MOs

Info

ID:	40105
PubChem CID:	8143571
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	409.136808
ΔH_f, kcal/mol:	35.59
Dipole, Da:	6.03
IP(EA), eV:	-9.07(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(3-piperidin-1-ylsulfonylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)[C@@H](C#N)N=O

DOS

IR

Vibrations