Geometry & MOs

Info

ID:

128215

PubChem CID:

51035750

Reduced:

SO2F3N5H14C20 (1)

Stoich.:

AB2C3D5E14F20 (1)

Weight, g/mol:

421.284161

ΔHf, kcal/mol:

-113.83

Dipole, Da:

9.37

IP(EA), eV:

 -8.34(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[5-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CN=CC=C2)CC(=O)NC3=C4N(C=N3)C(=CS4)C(F)(F)F

DOS

IR

Vibrations