Geometry & MOs

Info

ID:	200621
PubChem CID:	79415987
Reduced:	NBr2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	422.85985
ΔH_f, kcal/mol:	-33.88
Dipole, Da:	1.3
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dibromo-4-methoxyphenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCNCC1=CC2=C(C(=CC(=C2O1)Br)OC)Br

DOS

IR

Vibrations