Geometry & MOs

Info

ID:	227880
PubChem CID:	87562840
Reduced:	ClO2N3C30H32 (1)
Stoich.:	AB2C3D30E32 (1)
Weight, g/mol:	474.101426
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	5.61
IP(EA), eV:	-9.3(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=N2)Cl)[C@]3(C1)CNC[C@@]3([C@@]4(C[C@H](CCN4C=O)C5=CC=CC=C5)C6=CC=CC=C6)O

DOS

IR

Vibrations