Geometry & MOs

Info

ID:	37442
PubChem CID:	8021095
Reduced:	ClNF2O4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	389.103
ΔH_f, kcal/mol:	-233.85
Dipole, Da:	2.81
IP(EA), eV:	-9.09(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(4-chloro-2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations