Geometry & MOs

Info

ID:	78814
PubChem CID:	49734166
Reduced:	N2S2O5C21H24 (1)
Stoich.:	A2B2C5D21E24 (1)
Weight, g/mol:	463.087178
ΔH_f, kcal/mol:	-139.14
Dipole, Da:	5.33
IP(EA), eV:	-8.54(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)OC3=NC4=C(S3)C=CC(=C4)OC

DOS

IR

Vibrations