Geometry & MOs

Info

ID:	195485
PubChem CID:	78693695
Reduced:	OSF3N3C19H19 (1)
Stoich.:	ABC3D3E19F19 (1)
Weight, g/mol:	344.123287
ΔH_f, kcal/mol:	-48.76
Dipole, Da:	15.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996824
Charge, e:	1

Chem-info

IUPAC name:

[6-(3-fluorophenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)hex-5-enyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=C(CCCC[NH3+])C2=NC(=NO2)C3=CC=CS3)C(F)(F)F

DOS

IR

Vibrations