Geometry & MOs

Info

ID:

376269

PubChem CID:

134222279

Reduced:

FOCl2N2C33H41 (1)

Stoich.:

ABC2D2E33F41 (1)

Weight, g/mol:

536.148743

ΔHf, kcal/mol:

-64.94

Dipole, Da:

2.53

IP(EA), eV:

 -8.58(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-2-[(6-chloropyridin-2-yl)carbamoyl]-4-fluoropyrrolidin-1-yl]ethyl]-5-(2-formylpyrimidin-5-yl)indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC(/C(=N\NCC(C)(C)C1CCC2=C(C1)C(=CO2)C3=CC=C(C=C3)F)/C4=C(C=C(C=C4)Cl)Cl)C(C)(C)C

DOS

IR

Vibrations