Geometry & MOs

Info

ID:	434826
PubChem CID:	135175795
Reduced:	N2O3F7H15C24 (1)
Stoich.:	A2B3C7D15E24 (1)
Weight, g/mol:	528.092004
ΔH_f, kcal/mol:	-392.54
Dipole, Da:	8.25
IP(EA), eV:	-9.71(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-[2-fluoro-4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]-2-[6-(trifluoromethyl)pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CC1(C2=C(C=C(C=C2)C(F)(F)F)F)C(=O)NC3=CC(=C(C=C3)C4=CN=C(C=C4)C(F)(F)F)C(=O)O

DOS

IR

Vibrations