Geometry & MOs

Info

ID:	63969
PubChem CID:	26759583
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	381.118793
ΔH_f, kcal/mol:	-205.12
Dipole, Da:	8.56
IP(EA), eV:	-9.22(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations