Geometry & MOs

Info

ID:	302055
PubChem CID:	124349062
Reduced:	BrNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	352.218449
ΔH_f, kcal/mol:	-90.32
Dipole, Da:	3.83
IP(EA), eV:	-8.88(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C[C@@H](C2=CC=CC=C2O1)NS(=O)(=O)CC3=CC=C(C=C3)Br)C

DOS

IR

Vibrations