Geometry & MOs

Info

ID:	154492
PubChem CID:	56313944
Reduced:	BrF3N3O3H15C21 (1)
Stoich.:	AB3C3D3E15F21 (1)
Weight, g/mol:	488.0484
ΔH_f, kcal/mol:	-200.1
Dipole, Da:	6.96
IP(EA), eV:	-9.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(F)(F)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations