Geometry & MOs

Info

ID:	284644
PubChem CID:	104057025
Reduced:	ClN2S2O4C11H13 (1)
Stoich.:	AB2C2D4E11F13 (1)
Weight, g/mol:	348.036913
ΔH_f, kcal/mol:	-135.0
Dipole, Da:	7.9
IP(EA), eV:	-8.97(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylbenzenecarbothioamide

Drug info:

PubChemData

Smile

COC(=O)CCNS(=O)(=O)C1=CC(=C(C=C1)C(=S)N)Cl

DOS

IR

Vibrations