Geometry & MOs

Info

ID:

51199

PubChem CID:

12013836

Reduced:

N4O5H30C44 (1)

Stoich.:

A4B5C30D44 (1)

Weight, g/mol:

622.22162

ΔHf, kcal/mol:

5.61

Dipole, Da:

2.17

IP(EA), eV:

 -8.8(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,11R,18R,22S)-2-methyl-20-(4-methylphenyl)-11-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-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

CN1C(=O)C2=CC=CC=C2N3[C@]14[C@H]5[C@@H]([C@@]3(C6=CC=CC=C46)C7CC(=O)N(C7=O)C8=CC9=CC=CC=C9C=C8)C(=O)N(C5=O)C1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations