Geometry & MOs

Info

ID:

437829

PubChem CID:

135227115

Reduced:

SF2O3N4H18C24 (1)

Stoich.:

AB2C3D4E18F24 (1)

Weight, g/mol:

421.157246

ΔHf, kcal/mol:

-40.31

Dipole, Da:

4.08

IP(EA), eV:

 -8.31(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-(cyclopropylmethylamino)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]sulfonimidoyl]cyclopropane-1-carbonitrile

Drug info:

PubChemData

Smile

CN1C=C(C2=C(C1=O)NC=C2)C3=C(C=CC(=C3)S(=N)(=O)C4(CC4)C#N)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations