Geometry & MOs

Info

ID:	78804
PubChem CID:	49732779
Reduced:	N2S2O5C22H24 (1)
Stoich.:	A2B2C5D22E24 (1)
Weight, g/mol:	460.112664
ΔH_f, kcal/mol:	-140.83
Dipole, Da:	9.78
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(6-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCC(CC2)OC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations