Geometry & MOs

Info

ID:	227442
PubChem CID:	87561761
Reduced:	S2O3F4H26C27 (1)
Stoich.:	A2B3C4D26E27 (1)
Weight, g/mol:	623.070097
ΔH_f, kcal/mol:	-235.59
Dipole, Da:	8.73
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-[3,5-bis(trifluoromethyl)benzoyl]-3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)anilino]acetic acid

Drug info:

PubChemData

Smile

C1CC2CCC1C2C(C(F)(F)S(=O)(=O)OS(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(F)F

DOS

IR

Vibrations