Geometry & MOs

Info

ID:	80343
PubChem CID:	49834092
Reduced:	SO3N4H20C22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	10.79
Dipole, Da:	3.68
IP(EA), eV:	-9.11(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[5-(1,3-benzothiazol-2-yloxy)-1H-indol-3-yl]ethyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N1C[C@H]2C[C@H]1CN2CC3=COC4=C3C=CC(=C4)OC5=NC6=C(S5)C=CC=N6

DOS

IR

Vibrations