Geometry & MOs

Info

ID:

16699

PubChem CID:

475205

Reduced:

ClF3N3O5C29H35 (1)

Stoich.:

AB3C3D5E29F35 (1)

Weight, g/mol:

597.221733

ΔHf, kcal/mol:

-396.35

Dipole, Da:

4.49

IP(EA), eV:

 -8.96(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2,6-dimethylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]butanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)O)C)C(=O)N[C@@H](CC2=CC=C(C=C2)C(F)(F)F)[C@@H](C(=O)N3C[C@H](C[C@H]3C(=O)NC(C)(C)C)Cl)O

DOS

IR

Vibrations