Geometry & MOs

Info

ID:

51197

PubChem CID:

12013833

Reduced:

ON4H20C26 (2)

Stoich.:

AB4C20D26 (2)

Weight, g/mol:

442.12772

ΔHf, kcal/mol:

247.72

Dipole, Da:

7.29

IP(EA), eV:

 -7.94(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,11R,18R,22S)-11-(2,5-dioxopyrrolidin-3-yl)-2-methyl-2,10,20-triazahexacyclo[9.6.5.01,10.04,9.012,17.018,22]docosa-4,6,8,12,14,16-hexaene-3,19,21-trione

Drug info:

PubChemData

Smile

C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN4C5=CC=CC=C5N(/C(=C\6/C(=NN(C6=O)C7=CC=CC=C7)C8=CC=CC=C8)/C4=O)/C(=N/NC9=CC=CC=C9)/C1=CC=CC=C1

DOS

IR

Vibrations