Geometry & MOs

Info

ID:	263131
PubChem CID:	103341394
Reduced:	BrSO2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	361.04596
ΔH_f, kcal/mol:	-48.83
Dipole, Da:	8.13
IP(EA), eV:	-9.21(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(bromomethyl)piperidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CN=C(C=C1)N2CCC(C2)Br

DOS

IR

Vibrations