Geometry & MOs

Info

ID:	78333
PubChem CID:	49688357
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	407.991
ΔH_f, kcal/mol:	-196.99
Dipole, Da:	2.2
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[(1-methylsulfonylpiperidin-4-yl)methyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3CCN(CC3)S(=O)(=O)C

DOS

IR

Vibrations