Geometry & MOs

Info

ID:	338352
PubChem CID:	127259044
Reduced:	Br2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	214.041213
ΔH_f, kcal/mol:	-86.76
Dipole, Da:	2.86
IP(EA), eV:	-8.82(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-sulfanylidene-1H-pyridazin-3-yl)oxy]ethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCOC1=C(C2=C(C=C1)C=C(C=C2)Br)Br

DOS

IR

Vibrations