Geometry & MOs

Info

ID:

432322

PubChem CID:

135172455

Reduced:

N9O10C54H63 (1)

Stoich.:

A9B10C54D63 (1)

Weight, g/mol:

955.459225

ΔHf, kcal/mol:

-266.71

Dipole, Da:

10.17

IP(EA), eV:

 -8.92(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[(1S,4S)-5-[2-[2-[4-[2-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]ethyl]piperazin-1-yl]ethoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCN4CCC(CC4)OC5CC(C5)NC(=O)CN6CCN(CC6)CCOC7=C8COC/C=C/COCC9=CC(=CC=C9)C1=NC(=NC=C1)NC(=C8)C=C7

DOS

IR

Vibrations