Geometry & MOs

Info

ID:	260515
PubChem CID:	103194231
Reduced:	ClSN3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-124.96
Dipole, Da:	4.53
IP(EA), eV:	-9.55(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-aminophenyl)methylsulfonyl]-N-methylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)N

DOS

IR

Vibrations