Geometry & MOs

Info

ID:

82992

PubChem CID:

49856960

Reduced:

SN4O9C41H50 (1)

Stoich.:

AB4C9D41E50 (1)

Weight, g/mol:

542.41421

ΔHf, kcal/mol:

-312.38

Dipole, Da:

5.31

IP(EA), eV:

 -8.87(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S,5S)-N-(4-amino-1-cyclobutyl-1,1,2-trideuterio-3,4-dioxobutan-2-yl)-3-[(2S)-2-(tert-butylcarbamoylamino)-4,4-dimethylpentanoyl]-6,6-bis(trideuteriomethyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3CC4CN3C(=O)[C@@H](NC(=O)OC[C@H](COC5=CC=CC(=C5)C6=CC7=CC=CC=C7C=C6O4)C)C(C)(C)C

DOS

IR

Vibrations