Geometry & MOs

Info

ID:

16445

PubChem CID:

469333

Reduced:

ClN3O4C29H38 (1)

Stoich.:

AB3C4D29E38 (1)

Weight, g/mol:

527.255084

ΔHf, kcal/mol:

-186.91

Dipole, Da:

7.26

IP(EA), eV:

 -9.52(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1=CC=CC=C1C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3C[C@H](C[C@H]3C(=O)NC(C)(C)C)Cl)O

DOS

IR

Vibrations