Geometry & MOs

Info

ID:	32508
PubChem CID:	7840327
Reduced:	FO3H15C16 (1)
Stoich.:	AB3C15D16 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-140.77
Dipole, Da:	3.74
IP(EA), eV:	-9.38(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-hydroxy-3-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)O[C@H](C)C2=CC=C(C=C2)F)O

DOS

IR

Vibrations