Geometry & MOs

Info

ID:

444245

PubChem CID:

135261846

Reduced:

N2O3C16H22 (1)

Stoich.:

A2B3C16D22 (1)

Weight, g/mol:

815.28098

ΔHf, kcal/mol:

-118.07

Dipole, Da:

2.34

IP(EA), eV:

 -8.88(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[2-[[1,3-dioxo-2-[2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]isoindol-4-yl]amino]ethyl]piperazin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CN=C(C=C1)N2CCC(CC2)C=O

DOS

IR

Vibrations