Geometry & MOs

Info

ID:

433483

PubChem CID:

135173620

Reduced:

N6O6H42C47 (1)

Stoich.:

A6B6C42D47 (1)

Weight, g/mol:

882.16628

ΔHf, kcal/mol:

-45.91

Dipole, Da:

11.92

IP(EA), eV:

 -8.56(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C(CCC=O)N1C(=O)C2=CC=CC(=C2C1=O)C3=CC(=CC=C3)OCCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)C(=NC)CC8

DOS

IR

Vibrations