Geometry & MOs

Info

ID:	240982
PubChem CID:	93618774
Reduced:	ClNSO3C10H12 (1)
Stoich.:	ABCD3E10F12 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-119.83
Dipole, Da:	5.17
IP(EA), eV:	-9.07(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(2-piperidin-1-ylethoxy)thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@H]1NC2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations