Geometry & MOs

Info

ID:	227755
PubChem CID:	87562397
Reduced:	SN2O3F6H16C21 (1)
Stoich.:	AB2C3D6E16F21 (1)
Weight, g/mol:	490.078583
ΔH_f, kcal/mol:	-333.2
Dipole, Da:	4.31
IP(EA), eV:	-9.56(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C[C@@H](C2=CC(=C(C(=C2)OCC(F)(F)F)C(F)(F)F)C3=CC4=NSN=C4C=C3)C(=O)O

DOS

IR

Vibrations