Geometry & MOs

Info

ID:

65414

PubChem CID:

29214882

Reduced:

OSF3N10C15H19 (1)

Stoich.:

ABC3D10E15F19 (1)

Weight, g/mol:

432.216827

ΔHf, kcal/mol:

-9.78

Dipole, Da:

5.97

IP(EA), eV:

 -9.13(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-3-N-[(Z)-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methylideneamino]-1,2,4-triazole-3,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)/C=N\NC2=NN=C(N2N)SCC3=NN=C(O3)C(F)(F)F

DOS

IR

Vibrations