Geometry & MOs

Info

ID:	155914
PubChem CID:	56368277
Reduced:	BrSN2O4C16H19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	481.149384
ΔH_f, kcal/mol:	-130.68
Dipole, Da:	5.65
IP(EA), eV:	-9.23(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[[1-(4-pyridin-2-ylsulfanylbenzoyl)piperidin-3-yl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=CC(=CC=C2)OCCS(=O)(=O)C)Br

DOS

IR

Vibrations