Geometry & MOs

Info

ID:	227806
PubChem CID:	87562540
Reduced:	FN3O3H18C26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	476.117076
ΔH_f, kcal/mol:	38.72
Dipole, Da:	3.96
IP(EA), eV:	-9.22(-1.31)
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]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

COC1=C(N=C(C=C1C(=O)NO)C2=CC=CC=C2F)C3=CC=C(C=C3)C#CC4=CN=CC=C4

DOS

IR

Vibrations