Geometry & MOs

Info

ID:	154164
PubChem CID:	56313565
Reduced:	BrO3N5H16C22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	423.05824
ΔH_f, kcal/mol:	3.49
Dipole, Da:	4.52
IP(EA), eV:	-9.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations