Geometry & MOs

Info

ID:	154494
PubChem CID:	56313946
Reduced:	BrO4N5H16C22 (1)
Stoich.:	AB4C5D16E22 (1)
Weight, g/mol:	470.02258
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	6.47
IP(EA), eV:	-9.31(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(3-nitrophenoxy)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations