Geometry & MOs

Info

ID:	40214
PubChem CID:	8143762
Reduced:	OSN4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	262.088832
ΔH_f, kcal/mol:	67.46
Dipole, Da:	9.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.814063
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C(=S)OC(=N2)C3=CN=CC=C3

DOS

IR

Vibrations