Geometry & MOs

Info

ID:	153742
PubChem CID:	56313053
Reduced:	BrN3O4H16C21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	454.02767
ΔH_f, kcal/mol:	-68.37
Dipole, Da:	5.88
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations