Geometry & MOs

Info

ID:	272704
PubChem CID:	103752251
Reduced:	BrON5H12C14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	351.00187
ΔH_f, kcal/mol:	58.05
Dipole, Da:	4.78
IP(EA), eV:	-9.44(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetamido-2-fluorophenyl)-2-bromopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1C=CC=C2)NC(=O)C3=CC(=NC=C3)Br

DOS

IR

Vibrations