Geometry & MOs

Info

ID:	154279
PubChem CID:	56313690
Reduced:	BrN3O3H18C23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	493.02489
ΔH_f, kcal/mol:	-16.54
Dipole, Da:	6.7
IP(EA), eV:	-8.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)/C=C/C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations