Geometry & MOs

Info

ID:	445945
PubChem CID:	135269994
Reduced:	FON3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	510.201337
ΔH_f, kcal/mol:	10.69
Dipole, Da:	5.28
IP(EA), eV:	-8.98(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-butan-2-ylsulfanylphenyl)-3-[5-[2-fluoro-4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=NC(=CN=C2)C3=CC=CC=C3F

DOS

IR

Vibrations