Geometry & MOs

Info

ID:	63843
PubChem CID:	26759301
Reduced:	ISN2O4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	383.114456
ΔH_f, kcal/mol:	-97.68
Dipole, Da:	8.26
IP(EA), eV:	-9.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC=C(C=C3)I

DOS

IR

Vibrations