Geometry & MOs

Info

ID:	445947
PubChem CID:	135269996
Reduced:	SO2N6C26H28 (1)
Stoich.:	AB2C6D26E28 (1)
Weight, g/mol:	422.152495
ΔH_f, kcal/mol:	35.98
Dipole, Da:	8.37
IP(EA), eV:	-8.86(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-aminoethylsulfinyl)phenyl]-1-methyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2H-pyrazin-6-amine

Drug info:

PubChemData

Smile

C/C(=C(/C(=O)NC1=NC2=CC=CC=C2S1)\N=C(C=C)C3=CC=C(C=C3)C(=O)N4CCCNCC4)/N

DOS

IR

Vibrations