Geometry & MOs

Info

ID:

444023

PubChem CID:

135261058

Reduced:

F2N3O3H23C24 (1)

Stoich.:

A2B3C3D23E24 (1)

Weight, g/mol:

590.219906

ΔHf, kcal/mol:

-139.31

Dipole, Da:

3.49

IP(EA), eV:

 -8.69(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-(cyclohexylamino)-3-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-1-oxopropan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C(=O)OC)NC2=NC=CC3=C2N(CCO3)CC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations