Geometry & MOs

Info

ID:	40106
PubChem CID:	8143572
Reduced:	S2O3N4C18H25 (1)
Stoich.:	A2B3C4D18E25 (1)
Weight, g/mol:	408.128983
ΔH_f, kcal/mol:	-31.09
Dipole, Da:	6.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.810192
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=NN(C(=S)O3)C[NH+]4CCCC4

DOS

IR

Vibrations