Geometry & MOs

Info

ID:

155138

PubChem CID:

56320742

Reduced:

FSO3N4H23C26 (1)

Stoich.:

ABC3D4E23F26 (1)

Weight, g/mol:

491.208116

ΔHf, kcal/mol:

-32.99

Dipole, Da:

5.99

IP(EA), eV:

 -9.37(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[3-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)CNC(=O)C3=CC=CS3)C4=NC(=NO4)C5=CC(=CC=C5)F

DOS

IR

Vibrations