Geometry & MOs

Info

ID:	134544
PubChem CID:	51712406
Reduced:	FNCl2O4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	399.044041
ΔH_f, kcal/mol:	-187.48
Dipole, Da:	1.91
IP(EA), eV:	-9.0(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] (2R)-2-(4-chloro-2-methylphenoxy)propanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)OCC(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations