Geometry & MOs

Info

ID:	78317
PubChem CID:	49684437
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	409.04596
ΔH_f, kcal/mol:	-86.15
Dipole, Da:	5.03
IP(EA), eV:	-8.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC2CCN(CC2)C3=CC=CC=N3)C

DOS

IR

Vibrations