Geometry & MOs

Info

ID:

433449

PubChem CID:

135173586

Reduced:

N5O7H35C40 (1)

Stoich.:

A5B7C35D40 (1)

Weight, g/mol:

682.217597

ΔHf, kcal/mol:

-86.23

Dipole, Da:

7.76

IP(EA), eV:

 -8.64(-1.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C=C\C(=C/C=C)\C1=NN(C=C1C2=CC3=C(C=C2)/C(=N/O)/CC3)C4=CC=C(C=C4)OCCOC5=CC6=C(C=C5)C(=O)N(C6=O)C7CCC(=O)NC7=O

DOS

IR

Vibrations