Geometry & MOs

Info

ID:	71476
PubChem CID:	48414933
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	404.151826
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	6.91
IP(EA), eV:	-8.73(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-but-3-ynylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2CCCN(C2)C(=O)C3=CC=CS3

DOS

IR

Vibrations