Geometry & MOs

Info

ID:	236787
PubChem CID:	92714679
Reduced:	SO3N4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	456.97279
ΔH_f, kcal/mol:	23.94
Dipole, Da:	4.67
IP(EA), eV:	-8.62(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-acetamido-2-fluorophenyl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=C(C=N2)C[S@](=O)CC(=O)NCC3=CC=CO3)N4C=CC=C4

DOS

IR

Vibrations