Geometry & MOs

Info

ID:	227821
PubChem CID:	87562582
Reduced:	N2O4F6H16C21 (1)
Stoich.:	A2B4C6D16E21 (1)
Weight, g/mol:	474.101426
ΔH_f, kcal/mol:	-333.29
Dipole, Da:	9.38
IP(EA), eV:	-10.03(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,1,3-benzoxadiazol-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=NON=C4C=C3)C(=O)O

DOS

IR

Vibrations