Geometry & MOs

Info

ID:	34093
PubChem CID:	7889783
Reduced:	NSF3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	411.111599
ΔH_f, kcal/mol:	-266.14
Dipole, Da:	8.6
IP(EA), eV:	-9.07(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC(=O)O[C@@H](C)C(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations