Geometry & MOs

Info

ID:	61268
PubChem CID:	26707642
Reduced:	SO3N5C26H27 (1)
Stoich.:	AB3C5D26E27 (1)
Weight, g/mol:	496.06676
ΔH_f, kcal/mol:	-3.19
Dipole, Da:	8.9
IP(EA), eV:	-9.27(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3,5-dimethoxy-N-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations