Geometry & MOs

Info

ID:	302713
PubChem CID:	124392094
Reduced:	BrN2O6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	368.06155
ΔH_f, kcal/mol:	-141.12
Dipole, Da:	3.11
IP(EA), eV:	-8.92(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-fluorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC=CC=C3)Br)OCC(=O)OC

DOS

IR

Vibrations