Geometry & MOs

Info

ID:	153954
PubChem CID:	56313309
Reduced:	BrN3O3H18C21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	479.00924
ΔH_f, kcal/mol:	-33.51
Dipole, Da:	3.59
IP(EA), eV:	-9.24(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations