Geometry & MOs

Info

ID:

446265

PubChem CID:

135273647

Reduced:

SO2F3N7H16C22 (1)

Stoich.:

AB2C3D7E16F22 (1)

Weight, g/mol:

508.259817

ΔHf, kcal/mol:

-59.78

Dipole, Da:

3.55

IP(EA), eV:

 -9.91(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[3-fluoro-4-[5-methyl-1-[2-methyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]indazol-6-yl]piperidin-1-yl]acetate

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=CC(=C1)C2=NC=C(C=C2)C#N)C3=NN=C(N3C)C4=NC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations