Geometry & MOs

Info

ID:	228427
PubChem CID:	87564404
Reduced:	O2S2N6C23H24 (1)
Stoich.:	A2B2C6D23E24 (1)
Weight, g/mol:	370.067051
ΔH_f, kcal/mol:	65.02
Dipole, Da:	4.23
IP(EA), eV:	-8.5(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=NN3C(=NN=C3SC4=CC5=C(C=C4)N=C(S5)NC(=O)CC6CC6)C=C2

DOS

IR

Vibrations