Geometry & MOs

Info

ID:	163724
PubChem CID:	58874644
Reduced:	S2F3N4O4H25C34 (1)
Stoich.:	A2B3C4D4E25F34 (1)
Weight, g/mol:	442.059898
ΔH_f, kcal/mol:	-133.24
Dipole, Da:	10.8
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2C3=NC(=NO3)C4=CC=C(C=C4)C5=CSC(=N5)C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations