Geometry & MOs

Info

ID:	192542
PubChem CID:	78284022
Reduced:	SCl2N2O5C19H20 (1)
Stoich.:	AB2C2D5E19F20 (1)
Weight, g/mol:	399.12833
ΔH_f, kcal/mol:	-179.56
Dipole, Da:	6.79
IP(EA), eV:	-9.54(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5-bromo-2-methoxyphenyl)methyl-[1-(2,6-dimethylmorpholin-4-yl)-1-oxopropan-2-yl]-methylazanium

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC(=O)NC1=C(C=CC=C1Cl)Cl)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations