Geometry & MOs

Info

ID:

444305

PubChem CID:

135262013

Reduced:

BrSN6O6H41C42 (1)

Stoich.:

ABC6D6E41F42 (1)

Weight, g/mol:

768.351444

ΔHf, kcal/mol:

-119.81

Dipole, Da:

6.34

IP(EA), eV:

 -8.43(-0.99)

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-[[4-[1-(2,6-dioxopiperidin-3-yl)-6-oxopyridazin-4-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2NCCN3CCN(CC3)CCOC4=CC=C(C=C4)OC5=C(SC6=C5C=CC(=C6)O)C7=CC=C(C=C7)Br)C(=O)N1C8CCC(=O)NC8=O

DOS

IR

Vibrations