Geometry & MOs

Info

ID:	69055
PubChem CID:	46516730
Reduced:	F3N4O4C19H19 (1)
Stoich.:	A3B4C4D19E19 (1)
Weight, g/mol:	440.143073
ΔH_f, kcal/mol:	-229.24
Dipole, Da:	7.3
IP(EA), eV:	-9.09(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylpropyl]-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CNC(=O)CCNC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations