Geometry & MOs

Info

ID:	243784
PubChem CID:	99239587
Reduced:	BrSN2O4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	489.229742
ΔH_f, kcal/mol:	-132.79
Dipole, Da:	4.22
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[2-(tert-butylsulfamoyl)phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)COC2=CC(=CC=C2)Br

DOS

IR

Vibrations