Geometry & MOs

Info

ID:	153745
PubChem CID:	56313056
Reduced:	BrFO3N4H18C23 (1)
Stoich.:	ABC3D4E18F23 (1)
Weight, g/mol:	479.04807
ΔH_f, kcal/mol:	-75.19
Dipole, Da:	4.28
IP(EA), eV:	-9.13(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC=C2F)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations