Geometry & MOs

Info

ID:

340086

PubChem CID:

127262095

Reduced:

O4N5C22H33 (1)

Stoich.:

A4B5C22D33 (1)

Weight, g/mol:

422.289306

ΔHf, kcal/mol:

-158.77

Dipole, Da:

5.85

IP(EA), eV:

 -8.38(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-1-[(2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N(C(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C)N)N

DOS

IR

Vibrations