Geometry & MOs

Info

ID:

433525

PubChem CID:

135173664

Reduced:

N6O11C46H46 (1)

Stoich.:

A6B11C46D46 (1)

Weight, g/mol:

814.296242

ΔHf, kcal/mol:

-258.16

Dipole, Da:

12.78

IP(EA), eV:

 -8.69(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2,6-dioxopiperidin-3-yl)-4-[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]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOCCOCCOC4=CC=C(C=C4)N5C=C(C(=N5)C6=CC=NC=C6)C7=CC8=C(C=C7)/C(=N/O)/CC8

DOS

IR

Vibrations