Geometry & MOs

Info

ID:

432265

PubChem CID:

135172397

Reduced:

NOC6H7 (8)

Stoich.:

ABC6D7 (8)

Weight, g/mol:

996.485774

ΔHf, kcal/mol:

-209.54

Dipole, Da:

8.01

IP(EA), eV:

 -8.57(-1.52)

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-4-yl]amino]ethyl]piperidin-4-yl]oxycyclobutyl]acetamide

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCCCCN4CCN(CC4)CCOC5=C6COC/C=C/COCC7=CC(=CC=C7)C8=NC(=NC=C8)NC(=C6)C=C5

DOS

IR

Vibrations