Geometry & MOs

Info

ID:

433723

PubChem CID:

135173863

Reduced:

N2O6C15H16 (1)

Stoich.:

A2B6C15D16 (1)

Weight, g/mol:

788.295848

ΔHf, kcal/mol:

-223.89

Dipole, Da:

6.23

IP(EA), eV:

 -10.07(-1.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[4-[4-[[(2E)-3-amino-2-(1-nitroso-2,3-dihydroinden-5-ylidene)-3-(1H-pyridin-4-ylidene)propylidene]amino]phenoxy]butoxy]phenyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CCC(=O)NC(=O)CN1C(=O)C2=C(C1=O)C(=CC=C2)OCCO

DOS

IR

Vibrations