Geometry & MOs

Info

ID:

84958

PubChem CID:

49870928

Reduced:

O2N4C15H15 (2)

Stoich.:

A2B4C15D15 (2)

Weight, g/mol:

554.21001

ΔHf, kcal/mol:

4.05

Dipole, Da:

3.85

IP(EA), eV:

 -9.63(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[5-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]pyridin-2-yl]methyl]-N-(1-phenyl-3-sulfanylpropan-2-yl)-5-propylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NN1CC2=NC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)NC(CC5=CC=CC=C5)C(C(=O)O)O

DOS

IR

Vibrations