Geometry & MOs

Info

ID:	208722
PubChem CID:	80571803
Reduced:	SO2N4C9H10 (1)
Stoich.:	AB2C4D9E10 (1)
Weight, g/mol:	311.95681
ΔH_f, kcal/mol:	-7.37
Dipole, Da:	10.71
IP(EA), eV:	-8.86(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-methylanilino)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)NC2=NC=C(S2)C(=O)O

DOS

IR

Vibrations