Geometry & MOs

Info

ID:	54617
PubChem CID:	17388994
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	6.76
Dipole, Da:	2.74
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-acetyl-2-oxo-4-sulfanyl-3,9-diazaspiro[5.5]undec-4-ene-1,5-dicarbonitrile;4-methylmorpholine

Drug info:

PubChemData

Smile

CN1CCOCC1.C1CCC2(CC1)C(C(=O)C(=C(N2)S)C#N)C#N

DOS

IR

Vibrations