Geometry & MOs

Info

ID:	275484
PubChem CID:	103816422
Reduced:	BrClN2O2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	387.9284
ΔH_f, kcal/mol:	-29.82
Dipole, Da:	8.42
IP(EA), eV:	-9.21(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-6-chloropyridin-3-yl)-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NC2=CC(=C(N=C2)Cl)Br

DOS

IR

Vibrations