Geometry & MOs

Info

ID:	153955
PubChem CID:	56313310
Reduced:	BrF3N3O3H13C20 (1)
Stoich.:	AB3C3D3E13F20 (1)
Weight, g/mol:	480.04332
ΔH_f, kcal/mol:	-191.69
Dipole, Da:	6.57
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations