Geometry & MOs

Info

ID:	329611
PubChem CID:	126920296
Reduced:	SO3N7C17H17 (1)
Stoich.:	AB3C7D17E17 (1)
Weight, g/mol:	365.163394
ΔH_f, kcal/mol:	75.59
Dipole, Da:	10.55
IP(EA), eV:	-9.32(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

C1C(CN1C2=NN3C=NN=C3C=C2)CNS(=O)(=O)CC4=NOC5=CC=CC=C54

DOS

IR

Vibrations