Geometry & MOs

Info

ID:	291817
PubChem CID:	113584882
Reduced:	BrSN3O3C10H12 (1)
Stoich.:	ABC3D3E10F12 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-68.24
Dipole, Da:	4.55
IP(EA), eV:	-9.51(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethyl-5-[(2-hydroxycyclopentyl)methylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NC2CS(=O)(=O)C=C2)Br

DOS

IR

Vibrations