Geometry & MOs

Info

ID:	153740
PubChem CID:	56313051
Reduced:	BrO2N5H16C21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	469.03857
ΔH_f, kcal/mol:	34.57
Dipole, Da:	9.04
IP(EA), eV:	-9.05(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=NC(=CN2C=C1)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations