Geometry & MOs

Info

ID:	154393
PubChem CID:	56313818
Reduced:	BrFO3N4H16C23 (1)
Stoich.:	ABC3D4E16F23 (1)
Weight, g/mol:	483.07937
ΔH_f, kcal/mol:	-24.55
Dipole, Da:	4.84
IP(EA), eV:	-9.3(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[3-(2,3-dimethoxyphenyl)propanoylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C2=CC=C(C=C2)F)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations