Geometry & MOs

Info

ID:	263173
PubChem CID:	103343350
Reduced:	ClSN2O4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	303.150429
ΔH_f, kcal/mol:	-147.77
Dipole, Da:	4.3
IP(EA), eV:	-9.25(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4-dimethylpiperidin-1-yl)sulfonylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CCCC1S(=O)(=O)NC2=C(C=CN=C2)Cl

DOS

IR

Vibrations