Geometry & MOs

Info

ID:

432321

PubChem CID:

135172454

Reduced:

O8N9C49H57 (1)

Stoich.:

A8B9C49D57 (1)

Weight, g/mol:

997.469789

ΔHf, kcal/mol:

-183.41

Dipole, Da:

9.13

IP(EA), eV:

 -8.34(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-N-[3-[1-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethyl]piperidin-4-yl]oxycyclobutyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCN4CCN(CC4)CCN5CCN(CC5)CCOC6=C7COC/C=C/COCC8=CC(=CC=C8)C9=NC(=NC=C9)NC(=C7)C=C6

DOS

IR

Vibrations