Geometry & MOs

Info

ID:	154158
PubChem CID:	56313559
Reduced:	BrFN4O4H14C20 (1)
Stoich.:	ABC4D4E14F20 (1)
Weight, g/mol:	492.0797
ΔH_f, kcal/mol:	-51.57
Dipole, Da:	3.34
IP(EA), eV:	-9.37(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1F)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)[N+](=O)[O-]

DOS

IR

Vibrations