Geometry & MOs

Info

ID:

447284

PubChem CID:

135281766

Reduced:

FO2N4C22H27 (1)

Stoich.:

AB2C4D22E27 (1)

Weight, g/mol:

513.263899

ΔHf, kcal/mol:

-73.2

Dipole, Da:

4.55

IP(EA), eV:

 -9.11(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2R,4R)-2-[[5-[(1R)-3-cyclopropyl-1-(2-oxopyridin-1-yl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations