Geometry & MOs

Info

ID:

432264

PubChem CID:

135172396

Reduced:

O7N10C50H60 (1)

Stoich.:

A7B10C50D60 (1)

Weight, g/mol:

872.422111

ΔHf, kcal/mol:

-145.24

Dipole, Da:

7.6

IP(EA), eV:

 -8.65(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[5-[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]pentoxy]ethylamino]-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(=CC=C3)NCCN4CCN(CC4)CCCN5CCN(CC5)CCOC6=C7COC/C=C/COCC8=CC(=CC=C8)C9=NC(=NC=C9)NC(=C7)C=C6

DOS

IR

Vibrations