Geometry & MOs

Info

ID:	329612
PubChem CID:	126920297
Reduced:	SO2N7C15H23 (1)
Stoich.:	AB2C7D15E23 (1)
Weight, g/mol:	341.142265
ΔH_f, kcal/mol:	27.09
Dipole, Da:	9.14
IP(EA), eV:	-9.45(-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]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)NCC2CN(C2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations