Geometry & MOs

Info

ID:	154606
PubChem CID:	56314077
Reduced:	BrO3N4H15C22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	492.92598
ΔH_f, kcal/mol:	38.44
Dipole, Da:	6.49
IP(EA), eV:	-9.29(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations