Geometry & MOs

Info

ID:	264016
PubChem CID:	103416876
Reduced:	OBr2N5C13H17 (1)
Stoich.:	AB2C5D13E17 (1)
Weight, g/mol:	421.87584
ΔH_f, kcal/mol:	37.75
Dipole, Da:	7.49
IP(EA), eV:	-9.11(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,4-dibromo-5-methoxyanilino)-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=NN=NN1C2=CC(=C(C=C2Br)Br)OC

DOS

IR

Vibrations