Geometry & MOs

Info

ID:	80205
PubChem CID:	49833530
Reduced:	SO3N5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	15.55
Dipole, Da:	3.59
IP(EA), eV:	-9.0(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[6-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2CN([C@H]1CN2C(=O)N)CC3=CC4=C(O3)C=C(C=C4)OC5=NC6=C(S5)C=CC=N6

DOS

IR

Vibrations