Geometry & MOs

Info

ID:	154398
PubChem CID:	56313823
Reduced:	BrClFO2N3H14C20 (1)
Stoich.:	ABCD2E3F14G20 (1)
Weight, g/mol:	483.05422
ΔH_f, kcal/mol:	-56.52
Dipole, Da:	6.35
IP(EA), eV:	-9.19(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)CC2=C(C=CC=C2Cl)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations