Geometry & MOs

Info

ID:	41572
PubChem CID:	8146354
Reduced:	FN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	349.133437
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	8.57
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3S)-1-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC1=CC(=C(C=C1)OC)F)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations