Geometry & MOs

Info

ID:	80131
PubChem CID:	49833166
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	443.097349
ΔH_f, kcal/mol:	-0.37
Dipole, Da:	4.6
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[(4-methylsulfonylpiperidin-1-yl)methyl]-1-benzofuran-5-yl]oxy]-[1,3]thiazolo[4,5-b]pyridine

Drug info:

PubChemData

Smile

C1C2CN(CC2CN1CC3=CC4=C(O3)C=CC=C4OC5=NC6=C(S5)C=CC=N6)C(=O)N

DOS

IR

Vibrations