Geometry & MOs

Info

ID:	63833
PubChem CID:	26759276
Reduced:	SN2F3O5H17C18 (1)
Stoich.:	AB2C3D5E17F18 (1)
Weight, g/mol:	399.084906
ΔH_f, kcal/mol:	-325.42
Dipole, Da:	7.59
IP(EA), eV:	-9.39(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations