Geometry & MOs

Info

ID:	275494
PubChem CID:	103816445
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	407.84989
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	7.19
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(5-bromo-6-chloropyridin-3-yl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CC(=O)NC2=CC(=C(N=C2)Cl)Br

DOS

IR

Vibrations