Geometry & MOs

Info

ID:	163721
PubChem CID:	58874627
Reduced:	N2S2F3O3H19C28 (1)
Stoich.:	A2B2C3D3E19F28 (1)
Weight, g/mol:	493.070797
ΔH_f, kcal/mol:	-135.8
Dipole, Da:	5.32
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)C(F)(F)F

DOS

IR

Vibrations