Geometry & MOs

Info

ID:	40346
PubChem CID:	8143971
Reduced:	ClSO4N5H10C16 (1)
Stoich.:	ABC4D5E10F16 (1)
Weight, g/mol:	415.1604
ΔH_f, kcal/mol:	99.74
Dipole, Da:	6.98
IP(EA), eV:	-9.58(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-[(1R)-1-(2-fluorophenoxy)ethyl]-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=C(S2)/C=N\NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

DOS

IR

Vibrations