Geometry & MOs

Info

ID:	36187
PubChem CID:	7980871
Reduced:	ClFN2O3H18C22 (1)
Stoich.:	ABC2D3E18F22 (1)
Weight, g/mol:	412.098998
ΔH_f, kcal/mol:	-110.27
Dipole, Da:	6.29
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl]oxy-N-phenylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC2=CC=CC=C2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations