Geometry & MOs

Info

ID:

47310

PubChem CID:

10531423

Reduced:

FN5O12C22H42 (1)

Stoich.:

AB5C12D22E42 (1)

Weight, g/mol:

587.212174

ΔHf, kcal/mol:

-600.09

Dipole, Da:

1.65

IP(EA), eV:

 -9.54(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(2-chlorophenyl)methylcarbamothioyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@H]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)F)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N

DOS

IR

Vibrations