Geometry & MOs

Info

ID:

433793

PubChem CID:

135173935

Reduced:

N7O10C43H49 (1)

Stoich.:

A7B10C43D49 (1)

Weight, g/mol:

770.270027

ΔHf, kcal/mol:

-261.69

Dipole, Da:

2.36

IP(EA), eV:

 -8.87(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethoxy]ethoxy]ethoxy]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCOCCCN4C=C(C(=N4)C5=CC=NC=C5)C6=CC7=C(C=C6)/C(=N/O)/CC7

DOS

IR

Vibrations