Geometry & MOs

Info

ID:

314784

PubChem CID:

126623079

Reduced:

O2F3N3C12H14 (1)

Stoich.:

A2B3C3D12E14 (1)

Weight, g/mol:

562.165934

ΔHf, kcal/mol:

-175.61

Dipole, Da:

4.22

IP(EA), eV:

 -9.43(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[(6-methylpyridin-2-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCON1CCC(C1(C(=O)NC2=CC=CC=N2)F)(F)F

DOS

IR

Vibrations