Geometry & MOs

Info

ID:

168526

PubChem CID:

74982744

Reduced:

FSO3N6C27H27 (1)

Stoich.:

ABC3D6E27F27 (1)

Weight, g/mol:

582.216158

ΔHf, kcal/mol:

-33.97

Dipole, Da:

4.35

IP(EA), eV:

 -9.35(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[4-[6-[[2-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]acetyl]amino]pyridazin-3-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC=CC=C4F

DOS

IR

Vibrations