Geometry & MOs

Info

ID:	227920
PubChem CID:	87563020
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	490.078583
ΔH_f, kcal/mol:	-117.78
Dipole, Da:	3.51
IP(EA), eV:	-8.79(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(=C/C=C/C2=CC(=CC=C2)OC)CC1

DOS

IR

Vibrations