Geometry & MOs

Info

ID:	63769
PubChem CID:	26759152
Reduced:	ClN2S2O5C17H17 (1)
Stoich.:	AB2C2D5E17F17 (1)
Weight, g/mol:	417.041327
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	8.69
IP(EA), eV:	-9.02(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations