Geometry & MOs

Info

ID:	289374
PubChem CID:	104347785
Reduced:	BrSN3O3C13H18 (1)
Stoich.:	ABC3D3E13F18 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-119.36
Dipole, Da:	9.7
IP(EA), eV:	-8.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(5-amino-2-methylphenyl)sulfonylpiperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)N)Br

DOS

IR

Vibrations