Geometry & MOs

Info

ID:	78816
PubChem CID:	49734326
Reduced:	NSO2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	440.067606
ΔH_f, kcal/mol:	-108.74
Dipole, Da:	6.36
IP(EA), eV:	-8.53(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-difluoro-2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-1,3-benzothiazole

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)OC3=NC4=C(S3)C=C(C=C4)OC

DOS

IR

Vibrations