Geometry & MOs

Info

ID:	291882
PubChem CID:	113585161
Reduced:	ClSO2N3C11H16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	321.01466
ΔH_f, kcal/mol:	-24.82
Dipole, Da:	5.59
IP(EA), eV:	-8.23(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2-methylsulfinylethylamino)-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CS(=O)CCNC1=C(C=NN(C1=O)CC2CC2)Cl

DOS

IR

Vibrations