Geometry & MOs

Info

ID:	153737
PubChem CID:	56313048
Reduced:	BrCl2O2N4H13C18 (1)
Stoich.:	AB2C2D4E13F18 (1)
Weight, g/mol:	462.06914
ΔH_f, kcal/mol:	-0.89
Dipole, Da:	4.81
IP(EA), eV:	-9.27(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CN1C(=CC(=C1Cl)Cl)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations