Geometry & MOs

Info

ID:

433474

PubChem CID:

135173611

Reduced:

NO2S2C15H21 (1)

Stoich.:

AB2C2D15E21 (1)

Weight, g/mol:

774.280198

ΔHf, kcal/mol:

-60.79

Dipole, Da:

4.3

IP(EA), eV:

 -8.59(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SOCC2CCS(=NC(=O)C)CC2

DOS

IR

Vibrations