Geometry & MOs

Info

ID:

447288

PubChem CID:

135281780

Reduced:

FO2N4C28H31 (1)

Stoich.:

AB2C4D28E31 (1)

Weight, g/mol:

541.248918

ΔHf, kcal/mol:

-46.82

Dipole, Da:

4.87

IP(EA), eV:

 -9.39(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-N-[5-(1-amino-3-cyclopropyl-1-pyridin-4-ylpropyl)-2-fluorophenyl]-1-(3-cyanobenzoyl)-4-methoxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1[C@@](CCC2=CC(=C(C=C2)F)NC(=O)[C@H]3C[C@@](CN3)(C4=CC=CC=C4)O)(C5=CC=CC=N5)N

DOS

IR

Vibrations