Geometry & MOs

Info

ID:

449766

PubChem CID:

135301279

Reduced:

O2F3N6H19C31 (1)

Stoich.:

A2B3C6D19E31 (1)

Weight, g/mol:

856.53233

ΔHf, kcal/mol:

47.25

Dipole, Da:

8.13

IP(EA), eV:

 -9.11(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[[(1S)-1-[5-[4-[5-[2-[(1S)-1-[[2-(dimethylcarbamoyloxy)-2,3,3-trimethylbutanoyl]amino]-2,2-dimethylpropyl]-1H-imidazol-5-yl]pyrazin-2-yl]phenyl]-1H-imidazol-2-yl]-2,2-dimethylpropyl]amino]-2,3,3-trimethyl-1-oxobutan-2-yl] N,N-dimethylcarbamate

Drug info:

PubChemData

Smile

C1C(C2=C(C=C(C=C2)F)C3=NN=NN31)(C(C4=NC=C(C=C4)C#CC5=CC=C(C=C5)OCC6=CC(=CC=C6)C#N)(F)F)O

DOS

IR

Vibrations