Geometry & MOs

Info

ID:	227701
PubChem CID:	87562256
Reduced:	NO6C7H13 (1)
Stoich.:	AB6C7D13 (1)
Weight, g/mol:	490.078583
ΔH_f, kcal/mol:	-272.54
Dipole, Da:	12.41
IP(EA), eV:	-9.56(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,1,3-benzothiadiazol-5-yl)-3-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CNCC(=O)O.C(CC(=O)O)C(=O)O

DOS

IR

Vibrations