Geometry & MOs

Info

ID:	291883
PubChem CID:	113585166
Reduced:	BrSO2N3C10H16 (1)
Stoich.:	ABC2D3E10F16 (1)
Weight, g/mol:	289.065176
ΔH_f, kcal/mol:	-48.9
Dipole, Da:	9.28
IP(EA), eV:	-8.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethyl-5-[(1-oxothian-4-yl)amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NCCS(=O)C)Br

DOS

IR

Vibrations