Geometry & MOs

Info

ID:	39485
PubChem CID:	8140975
Reduced:	BrClN2O2H16C17 (1)
Stoich.:	ABC2D2E16F17 (1)
Weight, g/mol:	354.033811
ΔH_f, kcal/mol:	-50.41
Dipole, Da:	5.36
IP(EA), eV:	-8.86(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-4-fluoro-N-methylbenzamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations