Geometry & MOs

Info

ID:	291816
PubChem CID:	113584881
Reduced:	BrO3N4C10H11 (1)
Stoich.:	AB3C4D10E11 (1)
Weight, g/mol:	332.97828
ΔH_f, kcal/mol:	-81.36
Dipole, Da:	3.75
IP(EA), eV:	-9.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-2-ethylpyridazin-3-one

Drug info:

PubChemData

Smile

CN1C(=O)CC(C1=O)NC2=C(C(=O)N(N=C2)C)Br

DOS

IR

Vibrations