Geometry & MOs

Info

ID:	78812
PubChem CID:	49733783
Reduced:	ClSF2O2N3H16C19 (1)
Stoich.:	ABC2D2E3F16G19 (1)
Weight, g/mol:	448.112664
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	3.67
IP(EA), eV:	-9.07(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=NC3=C(C=C(C=C3S2)F)F)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations