Geometry & MOs

Info

ID:	156077
PubChem CID:	56369047
Reduced:	ClSN3O3C22H24 (1)
Stoich.:	ABC3D3E22F24 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	-81.13
Dipole, Da:	2.97
IP(EA), eV:	-9.06(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[(4-methylphenyl)sulfonylamino]methyl]piperidine-1-carbonyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCN(C2)C(=O)C3=CC4=C(N3)C=C(C=C4)Cl

DOS

IR

Vibrations