Geometry & MOs

Info

ID:

443982

PubChem CID:

135260927

Reduced:

FO2N7C26H28 (1)

Stoich.:

AB2C7D26E28 (1)

Weight, g/mol:

631.282841

ΔHf, kcal/mol:

-14.78

Dipole, Da:

4.0

IP(EA), eV:

 -8.87(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(dimethylamino)ethylamino]-3-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]oxyphenyl]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CNC2=C1C(=NC=N2)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(CC4)CC5=CC=CC=N5)N)F

DOS

IR

Vibrations