Geometry & MOs

Info

ID:	260674
PubChem CID:	103199552
Reduced:	BrNF3O4H7C11 (1)
Stoich.:	ABC3D4E7F11 (1)
Weight, g/mol:	297.021955
ΔH_f, kcal/mol:	-236.22
Dipole, Da:	5.56
IP(EA), eV:	-9.83(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-amino-2-(2-fluoro-4-nitrophenyl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(O1)C2=CC=C(O2)Br)C(F)(F)F

DOS

IR

Vibrations