Geometry & MOs

Info

ID:	228134
PubChem CID:	87563506
Reduced:	SO2N4C23H34 (1)
Stoich.:	AB2C4D23E34 (1)
Weight, g/mol:	466.077041
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	6.24
IP(EA), eV:	-8.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-chloro-3-(2,2,2-trifluoroethoxy)-5-[4-(trifluoromethyl)phenyl]phenyl]-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C(CNC1=NC(=C(S1)C(=O)NC2=C(C=C(C=C2C)C)C)C)C=O

DOS

IR

Vibrations