Geometry & MOs

Info

ID:	153458
PubChem CID:	56312661
Reduced:	BrFNOC17H17 (1)
Stoich.:	ABCDE17F17 (1)
Weight, g/mol:	478.06405
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	3.7
IP(EA), eV:	-9.26(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=CC(=C1)Br)F)C2=CC=CC=C2

DOS

IR

Vibrations