Geometry & MOs

Info

ID:	154607
PubChem CID:	56314078
Reduced:	FBr2O2N3H12C19 (1)
Stoich.:	AB2C2D3E12F19 (1)
Weight, g/mol:	441.04882
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	7.96
IP(EA), eV:	-9.18(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(4-fluorophenyl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)F)Br)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations