Geometry & MOs

Info

ID:	298726
PubChem CID:	117654951
Reduced:	O2F3N4H9C14 (1)
Stoich.:	A2B3C4D9E14 (1)
Weight, g/mol:	557.96344
ΔH_f, kcal/mol:	-139.4
Dipole, Da:	8.06
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-fluoro-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]phenyl]-3-iodothiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=C(C=NN3C=C2)NC(=O)O)C(F)(F)F

DOS

IR

Vibrations