Geometry & MOs

Info

ID:	128536
PubChem CID:	51049348
Reduced:	SO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	-15.64
Dipole, Da:	6.56
IP(EA), eV:	-8.5(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC=C1OC)C2C3=C(NN(C3=NC(=O)CS2)C4=CC=CC=N4)C

DOS

IR

Vibrations