Geometry & MOs

Info

ID:

444014

PubChem CID:

135261043

Reduced:

FO2N5C24H30 (1)

Stoich.:

AB2C5D24E30 (1)

Weight, g/mol:

534.239082

ΔHf, kcal/mol:

-71.35

Dipole, Da:

3.16

IP(EA), eV:

 -8.59(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-[2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]propanoyl]piperazin-1-yl]methyl]-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CNC2=NC=CC(=C12)OC3=C(C=C(C=C3)CC(C(=O)N4CCN(C(C4)(C)C)C)N)F

DOS

IR

Vibrations