Geometry & MOs

Info

ID:	154491
PubChem CID:	56313942
Reduced:	BrO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	493.02489
ΔH_f, kcal/mol:	18.35
Dipole, Da:	7.68
IP(EA), eV:	-8.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CC(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations