Geometry & MOs

Info

ID:	153855
PubChem CID:	56313184
Reduced:	BrClN3O3H17C21 (1)
Stoich.:	ABC3D3E17F21 (1)
Weight, g/mol:	461.01866
ΔH_f, kcal/mol:	-50.88
Dipole, Da:	4.05
IP(EA), eV:	-9.32(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2-(difluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)OC3=CC(=CC=C3)Cl

DOS

IR

Vibrations