Geometry & MOs

Info

ID:	243783
PubChem CID:	99239583
Reduced:	NO6C24H31 (1)
Stoich.:	AB6C24D31 (1)
Weight, g/mol:	454.05619
ΔH_f, kcal/mol:	-219.49
Dipole, Da:	2.33
IP(EA), eV:	-8.54(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromophenoxy)-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)CCC2=C(C(=C(C=C2)OC)OC)OC

DOS

IR

Vibrations