Geometry & MOs

Info

ID:	200591
PubChem CID:	79415341
Reduced:	Br2N2O2H8C13 (1)
Stoich.:	A2B2C2D8E13 (1)
Weight, g/mol:	417.88092
ΔH_f, kcal/mol:	29.07
Dipole, Da:	4.01
IP(EA), eV:	-9.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dibromo-4-methoxyphenoxy)pyridine-2-carbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1Br)OC2=C(C=CC=N2)C#N)Br

DOS

IR

Vibrations