Geometry & MOs

Info

ID:

425304

PubChem CID:

135125882

Reduced:

SF2O3N5H21C22 (1)

Stoich.:

AB2C3D5E21F22 (1)

Weight, g/mol:

597.210008

ΔHf, kcal/mol:

-33.47

Dipole, Da:

6.75

IP(EA), eV:

 -9.23(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[1-[1-(1-formylpiperidin-4-yl)pyrazol-4-yl]benzimidazol-5-yl]ethynyl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@]1(C2(CC2)S(=O)(=O)N(C(=N1)N)C)C3=C(C=CC(=C3)/C=C(/C4=CN=C(C=N4)OCC#C)\F)F

DOS

IR

Vibrations