Geometry & MOs

Info

ID:

433484

PubChem CID:

135173621

Reduced:

IN6O6H35C45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

771.338047

ΔHf, kcal/mol:

-34.88

Dipole, Da:

3.01

IP(EA), eV:

 -8.91(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[2-[4-[4-[3-[(E)-but-2-en-2-yl]-4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]pyrazol-1-yl]phenyl]piperazin-1-yl]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=CC=CC(=C3C2=O)C4=CC(=CC=C4)OCCCOC5=CC=C(C=C5)N6C=C(C(=N6)C7=CC=NC=C7)C8=CC9=C(C=C8)/C(=N/I)/CC9

DOS

IR

Vibrations