Geometry & MOs

Info

ID:	40549
PubChem CID:	8144313
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	340.113116
ΔH_f, kcal/mol:	-90.49
Dipole, Da:	3.17
IP(EA), eV:	-8.65(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(1R)-1-(4-fluorophenoxy)ethyl]-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)OC)N3CCCC3

DOS

IR

Vibrations