Geometry & MOs

Info

ID:	154157
PubChem CID:	56313558
Reduced:	BrClN3O3H17C21 (1)
Stoich.:	ABC3D3E17F21 (1)
Weight, g/mol:	472.01825
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	8.1
IP(EA), eV:	-9.23(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-fluoro-4-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations