Geometry & MOs

Info

ID:	60147
PubChem CID:	26675774
Reduced:	BrN4O4H15C19 (1)
Stoich.:	AB4C4D15E19 (1)
Weight, g/mol:	440.98817
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	7.26
IP(EA), eV:	-9.21(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-5-formyl-2-methoxyphenoxy)-N-(2-methylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3COC4=C(C=C(C(=C4)C=O)Br)OC

DOS

IR

Vibrations