Geometry & MOs

Info

ID:	228629
PubChem CID:	87565447
Reduced:	FO2S2N7H22C24 (1)
Stoich.:	AB2C2D7E22F24 (1)
Weight, g/mol:	504.067445
ΔH_f, kcal/mol:	52.72
Dipole, Da:	9.1
IP(EA), eV:	-8.81(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[6-(1,3-benzodioxol-5-yloxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CCN(CC)CC(=O)NC1=NC2=C(S1)C=C(C=C2)SC3=NN=C4N3N=C(C=C4)OC5=CC(=CC=C5)F

DOS

IR

Vibrations