Geometry & MOs

Info

ID:	154608
PubChem CID:	56314079
Reduced:	BrFO2N3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	493.02489
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	8.0
IP(EA), eV:	-9.18(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CCC2=CC=C(C=C2)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations