Geometry & MOs

Info

ID:	78787
PubChem CID:	49729622
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	390.197714
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	4.61
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-2-propylpentan-1-one

Drug info:

PubChemData

Smile

C1CCC2=NOC(=C2C1)NC(=O)C3CCCN(C3)C(=O)NC4=CC=CS4

DOS

IR

Vibrations