Geometry & MOs

Info

ID:	329666
PubChem CID:	126920563
Reduced:	SO2N8C13H16 (1)
Stoich.:	AB2C8D13E16 (1)
Weight, g/mol:	365.163394
ΔH_f, kcal/mol:	84.45
Dipole, Da:	11.24
IP(EA), eV:	-9.25(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N(C)C2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations