Geometry & MOs

Info

ID:	227675
PubChem CID:	87562207
Reduced:	SN2O3F6H18C21 (1)
Stoich.:	AB2C3D6E18F21 (1)
Weight, g/mol:	492.094233
ΔH_f, kcal/mol:	-363.21
Dipole, Da:	4.81
IP(EA), eV:	-9.47(-1.63)
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]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=CC(=C(C(=C1)OCC(F)(F)F)C2=CC3=NSN=C3C=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations