Geometry & MOs

Info

ID:

445854

PubChem CID:

135269806

Reduced:

FSO4N6C27H31 (1)

Stoich.:

ABC4D6E27F31 (1)

Weight, g/mol:

540.175516

ΔHf, kcal/mol:

-78.83

Dipole, Da:

4.97

IP(EA), eV:

 -9.2(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[5-[2-fluoro-4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-[4-(oxan-4-ylsulfinyl)phenyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=NN=C(O3)[C@H]4C=CC(=CC4F)CN[C@@H]5CCOC5)N

DOS

IR

Vibrations