Geometry & MOs

Info

ID:	78801
PubChem CID:	49732005
Reduced:	SN2O6C25H28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	5.63
IP(EA), eV:	-8.68(-0.52)
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-phenoxyethanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC(=N2)OC3CCN(CC3)C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations