Geometry & MOs

Info

ID:	154609
PubChem CID:	56314080
Reduced:	BrF3N3O3H15C21 (1)
Stoich.:	AB3C3D3E15F21 (1)
Weight, g/mol:	429.99128
ΔH_f, kcal/mol:	-187.1
Dipole, Da:	6.39
IP(EA), eV:	-9.2(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-nitrofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)COC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations