Geometry & MOs

Info

ID:	63836
PubChem CID:	26759283
Reduced:	ClNO3F4H14C18 (1)
Stoich.:	ABC3D4E14F18 (1)
Weight, g/mol:	395.134443
ΔH_f, kcal/mol:	-305.98
Dipole, Da:	5.33
IP(EA), eV:	-9.1(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[3-(trifluoromethyl)phenyl]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations