Geometry & MOs

Info

ID:	154705
PubChem CID:	56314210
Reduced:	BrN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	427.03317
ΔH_f, kcal/mol:	-77.41
Dipole, Da:	4.3
IP(EA), eV:	-8.5(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)OC

DOS

IR

Vibrations