Geometry & MOs

Info

ID:	228426
PubChem CID:	87564384
Reduced:	N5H7C9 (1)
Stoich.:	A5B7C9 (1)
Weight, g/mol:	480.140216
ΔH_f, kcal/mol:	144.77
Dipole, Da:	5.25
IP(EA), eV:	-9.08(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[(6-cyclohexyloxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]-1,3-benzothiazol-2-yl]-2-cyclopropylacetamide

Drug info:

PubChemData

Smile

C1=CC\2=C(N=C1)N=C/C2=C\3/C=NNN3

DOS

IR

Vibrations