Geometry & MOs

Info

ID:

441304

PubChem CID:

135234037

Reduced:

NOH27C42 (1)

Stoich.:

ABC27D42 (1)

Weight, g/mol:

596.195206

ΔHf, kcal/mol:

149.51

Dipole, Da:

3.36

IP(EA), eV:

 -8.25(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)N4C5=C(C=C(C=C5)C6=C7C8=CC=CC=C8OC7=CC=C6)C9=CC=CC=C94

DOS

IR

Vibrations