Geometry & MOs

Info

ID:

49546

PubChem CID:

11533215

Reduced:

N3O5C28H29 (1)

Stoich.:

A3B5C28D29 (1)

Weight, g/mol:

487.168954

ΔHf, kcal/mol:

-150.23

Dipole, Da:

4.4

IP(EA), eV:

 -9.65(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[5-[(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C(C#N)C1C[C@@H](C2([C@@H](C1)C3=CC=CC=C3)C(=O)N(C(=O)N(C2=O)C)C)C4=CC=CC=C4

DOS

IR

Vibrations