Geometry & MOs

Info

ID:

440861

PubChem CID:

135231877

Reduced:

FO4N5C26H28 (1)

Stoich.:

AB4C5D26E28 (1)

Weight, g/mol:

498.18271

ΔHf, kcal/mol:

-76.25

Dipole, Da:

6.15

IP(EA), eV:

 -8.92(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(1,1-difluoroethoxy)phenyl]-N'-[N-[[3-(3-hydroxyazetidine-1-carbonyl)phenyl]methyl]-C-methylcarbonimidoyl]-1,2,4-oxadiazole-5-carboximidamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1CC2=CC(=CC=C2)OC3CCOCC3)C4=NC(=NO4)C5=CC=C(C=C5)OC(C)(C)F

DOS

IR

Vibrations