Geometry & MOs

Info

ID:	373540
PubChem CID:	131316676
Reduced:	BrNSO3H6C9 (1)
Stoich.:	ABCD3E6F9 (1)
Weight, g/mol:	235.030314
ΔH_f, kcal/mol:	-8.68
Dipole, Da:	4.43
IP(EA), eV:	-9.49(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylphenoxy)-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)SC(=C2CO)[N+](=O)[O-]

DOS

IR

Vibrations