Geometry & MOs

Info

ID:	154280
PubChem CID:	56313691
Reduced:	BrF3N3O3H15C21 (1)
Stoich.:	AB3C3D3E15F21 (1)
Weight, g/mol:	467.04807
ΔH_f, kcal/mol:	-188.08
Dipole, Da:	8.45
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations