Geometry & MOs

Info

ID:	284645
PubChem CID:	104057027
Reduced:	ClN2S2O3C13H17 (1)
Stoich.:	AB2C2D3E13F17 (1)
Weight, g/mol:	346.057648
ΔH_f, kcal/mol:	-105.62
Dipole, Da:	3.61
IP(EA), eV:	-9.07(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(4-ethylpiperidin-1-yl)sulfonylbenzenecarbothioamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)CO)S(=O)(=O)C2=CC(=C(C=C2)C(=S)N)Cl

DOS

IR

Vibrations