Geometry & MOs

Info

ID:	128441
PubChem CID:	51044510
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	405.125946
ΔH_f, kcal/mol:	30.22
Dipole, Da:	6.19
IP(EA), eV:	-8.69(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCC(CC3)CN4C=NN=N4

DOS

IR

Vibrations