Geometry & MOs

Info

ID:

440799

PubChem CID:

135231508

Reduced:

ClN4O4C17H17 (1)

Stoich.:

AB4C4D17E17 (1)

Weight, g/mol:

535.197729

ΔHf, kcal/mol:

-73.77

Dipole, Da:

10.11

IP(EA), eV:

 -9.87(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-methyl-2-[[2-(4-methylsulfanylpiperidin-1-yl)pyridin-4-yl]methyl]-1,5-dihydro-1,2,4-triazol-5-yl]-3-[4-(trifluoromethoxy)phenyl]-2,5-dihydro-1,2,4-oxadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N1)C2=C(C=CC(=C2)Cl)N3C=NC(=C3C)C(=O)O)C

DOS

IR

Vibrations