Geometry & MOs

Info

ID:	81683
PubChem CID:	49855008
Reduced:	NSF3O5C23H24 (1)
Stoich.:	ABC3D5E23F24 (1)
Weight, g/mol:	472.15313
ΔH_f, kcal/mol:	-318.0
Dipole, Da:	5.31
IP(EA), eV:	-9.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl]sulfanyl-2-methylphenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SCC(CC#N)COC2=CC=C(C=C2)OC(F)(F)F)OC(C)(C)C(=O)O

DOS

IR

Vibrations