Geometry & MOs

Info

ID:	284646
PubChem CID:	104057033
Reduced:	ClN2O2S2C14H19 (1)
Stoich.:	AB2C2D2E14F19 (1)
Weight, g/mol:	346.057648
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	2.2
IP(EA), eV:	-8.97(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C(=S)N)Cl

DOS

IR

Vibrations