Geometry & MOs

Info

ID:	292998
PubChem CID:	117369623
Reduced:	NO2F3C11H12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	247.005162
ΔH_f, kcal/mol:	-227.11
Dipole, Da:	7.17
IP(EA), eV:	-9.07(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,2,3-benzothiadiazol-6-yl)-1,2-oxazole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C1)(C2=C(C(=C(C=C2)C(F)(F)F)O)O)N

DOS

IR

Vibrations