Geometry & MOs

Info

ID:	143144
PubChem CID:	53153275
Reduced:	BrSO3N4H13C16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	274.086604
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	2.73
IP(EA), eV:	-9.15(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluoro-4-methylphenyl)-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

C1CC1N2C(=O)C3=NSC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations