Geometry & MOs

Info

ID:

433475

PubChem CID:

135173612

Reduced:

N6O7H38C45 (1)

Stoich.:

A6B7C38D45 (1)

Weight, g/mol:

771.269299

ΔHf, kcal/mol:

-33.23

Dipole, Da:

12.93

IP(EA), eV:

 -7.49(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[4-[4-(1-oxo-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]butoxy]phenyl]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)N=C/C(=C/6\C=CC7=C(CCC7=C6)N=O)/C(=C8C=CNC=C8)N

DOS

IR

Vibrations