Geometry & MOs

Info

ID:

443951

PubChem CID:

135260729

Reduced:

FO3N5C23H28 (1)

Stoich.:

AB3C5D23E28 (1)

Weight, g/mol:

505.223766

ΔHf, kcal/mol:

-95.27

Dipole, Da:

3.82

IP(EA), eV:

 -8.77(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-3-[3-fluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-1-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C(CC2=CC(=C(C=C2)OC3=C4C(=CNC4=NC=C3)COC)F)N

DOS

IR

Vibrations