Geometry & MOs

Info

ID:

51198

PubChem CID:

12013834

Reduced:

N4O5H18C24 (1)

Stoich.:

A4B5C18D24 (1)

Weight, g/mol:

694.22162

ΔHf, kcal/mol:

-84.68

Dipole, Da:

3.49

IP(EA), eV:

 -9.25(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,11R,18R,22S)-2-methyl-20-naphthalen-2-yl-11-(1-naphthalen-2-yl-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)NC7=O)C(=O)NC5=O

DOS

IR

Vibrations