Geometry & MOs

Info

ID:	227820
PubChem CID:	87562580
Reduced:	NO3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	474.101426
ΔH_f, kcal/mol:	26.04
Dipole, Da:	4.04
IP(EA), eV:	-9.34(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=NC=CC(=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)C=O

DOS

IR

Vibrations