Geometry & MOs

Info

ID:	228605
PubChem CID:	87565403
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	524.177665
ΔH_f, kcal/mol:	99.31
Dipole, Da:	3.33
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(6-cyclobutyloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]-2-(4-ethylpiperazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NC/C=C/C#CCN

DOS

IR

Vibrations