Geometry & MOs

Info

ID:	154397
PubChem CID:	56313822
Reduced:	BrN4O4H19C23 (1)
Stoich.:	AB4C4D19E23 (1)
Weight, g/mol:	460.9942
ΔH_f, kcal/mol:	-71.49
Dipole, Da:	0.63
IP(EA), eV:	-8.99(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations