Geometry & MOs

Info

ID:	251018
PubChem CID:	103100867
Reduced:	ClN2O2S2C13H21 (1)
Stoich.:	AB2C2D2E13F21 (1)
Weight, g/mol:	350.088948
ΔH_f, kcal/mol:	-73.49
Dipole, Da:	5.98
IP(EA), eV:	-8.89(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCNCC1CCCCN1S(=O)(=O)C2=CC(=C(S2)Cl)C

DOS

IR

Vibrations