Geometry & MOs

Info

ID:

441339

PubChem CID:

135234212

Reduced:

OF2S2N8C20H24 (1)

Stoich.:

AB2C2D8E20F24 (1)

Weight, g/mol:

641.180285

ΔHf, kcal/mol:

-25.6

Dipole, Da:

4.64

IP(EA), eV:

 -9.01(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(1S)-3-[5-[[2-[6-(3,3-difluoroazetidin-1-yl)pyridin-2-yl]acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]-2-(6-methoxypyridin-3-yl)acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H](C1)C2=NN=C(S2)NC(CC3=NC(=CC=C3)N4CC(C4)(F)F)O)C5=NN=C(S5)N

DOS

IR

Vibrations