Geometry & MOs

Info

ID:

433524

PubChem CID:

135173663

Reduced:

N6O9H38C42 (1)

Stoich.:

A6B9C38D42 (1)

Weight, g/mol:

858.322456

ΔHf, kcal/mol:

-178.08

Dipole, Da:

8.51

IP(EA), eV:

 -8.75(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)OCCOCCOCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)/C(=N/O)/CC8

DOS

IR

Vibrations