Geometry & MOs

Info

ID:	122835
PubChem CID:	50823615
Reduced:	N2S2O4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	452.04054
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	6.14
IP(EA), eV:	-9.26(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromobenzoyl)piperidin-4-yl]-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2CCN(CC2)C(=O)C3=CSC=C3

DOS

IR

Vibrations