Geometry & MOs

Info

ID:

433794

PubChem CID:

135173936

Reduced:

N6O9H38C42 (1)

Stoich.:

A6B9C38D42 (1)

Weight, g/mol:

839.385391

ΔHf, kcal/mol:

-179.25

Dipole, Da:

12.87

IP(EA), eV:

 -8.66(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[2-[2-[2-[3-[4-[1-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=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