Geometry & MOs

Info

ID:	282202
PubChem CID:	103918664
Reduced:	SN3O3C11H15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	328.07864
ΔH_f, kcal/mol:	-86.64
Dipole, Da:	2.92
IP(EA), eV:	-9.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-bromo-2-hydroxy-3-methylphenyl)methyl-methylamino]-N,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](CO)NS(=O)(=O)C1=CNC2=C1C=CC=N2

DOS

IR

Vibrations