Geometry & MOs

Info

ID:

15754

PubChem CID:

449510

Reduced:

F2N4O6C25H36 (1)

Stoich.:

A2B4C6D25E36 (1)

Weight, g/mol:

526.260291

ΔHf, kcal/mol:

-386.2

Dipole, Da:

2.44

IP(EA), eV:

 -9.37(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[(2R)-2-acetamidopropanoyl]-N-[(3S)-5,5-difluoro-4,4-dihydroxy-2-methyl-6-oxo-6-(2-phenylethylamino)hexan-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(C(C(=O)NCCC2=CC=CC=C2)(F)F)(O)O)NC(=O)C

DOS

IR

Vibrations