Geometry & MOs

Info

ID:	244655
PubChem CID:	99376261
Reduced:	BrSN3O4C20H30 (1)
Stoich.:	ABC3D4E20F30 (1)
Weight, g/mol:	487.214092
ΔH_f, kcal/mol:	-168.46
Dipole, Da:	1.83
IP(EA), eV:	-9.23(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[3-[benzyl(methyl)sulfamoyl]-4-methoxybenzoyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations