Geometry & MOs

Info

ID:	156961
PubChem CID:	56394975
Reduced:	SN3O4C23H23 (1)
Stoich.:	AB3C4D23E23 (1)
Weight, g/mol:	409.21139
ΔH_f, kcal/mol:	-65.16
Dipole, Da:	6.73
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoyl]piperazin-1-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=C(OC2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

DOS

IR

Vibrations