Geometry & MOs

Info

ID:

314888

PubChem CID:

126623900

Reduced:

ClFSO4C23H28 (1)

Stoich.:

ABCD4E23F28 (1)

Weight, g/mol:

594.11388

ΔHf, kcal/mol:

-224.3

Dipole, Da:

5.51

IP(EA), eV:

 -8.6(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-[(2-methylpyrimidin-5-yl)amino]indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](C(C1)C(=O)O)S(=O)C2=C(C=C(C(=C2)Cl)OCC34CC5CC(C3)CC(C5)C4)F

DOS

IR

Vibrations