Geometry & MOs

Info

ID:	357299
PubChem CID:	127293932
Reduced:	SO2N5C10H15 (1)
Stoich.:	AB2C5D10E15 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	6.52
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(oxolan-2-ylmethyl)pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C)NS(=O)(=O)C2=NN(C=C2)C

DOS

IR

Vibrations