Geometry & MOs

Info

ID:	153743
PubChem CID:	56313054
Reduced:	BrN4O4H15C20 (1)
Stoich.:	AB4C4D15E20 (1)
Weight, g/mol:	492.92598
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	6.93
IP(EA), eV:	-9.4(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations