Geometry & MOs

Info

ID:	78813
PubChem CID:	49734164
Reduced:	N2S2O5C21H24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	448.112664
ΔH_f, kcal/mol:	-139.98
Dipole, Da:	6.09
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)OC3=NC4=C(S3)C=CC(=C4)OC

DOS

IR

Vibrations