Geometry & MOs

Info

ID:	154600
PubChem CID:	56314070
Reduced:	BrFO2N4H18C21 (1)
Stoich.:	ABC2D4E18F21 (1)
Weight, g/mol:	498.07028
ΔH_f, kcal/mol:	-32.01
Dipole, Da:	3.91
IP(EA), eV:	-9.3(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[4-[(4-fluorobenzoyl)amino]butanoylamino]benzamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)F

DOS

IR

Vibrations