Geometry & MOs

Info

ID:	372676
PubChem CID:	131301971
Reduced:	FSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	234.93026
ΔH_f, kcal/mol:	-122.48
Dipole, Da:	5.76
IP(EA), eV:	-9.4(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-1,3-thiazol-5-yl)acetate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)C(=C(S2)O)/C=C/C(=O)O

DOS

IR

Vibrations