Geometry & MOs

Info

ID:	350410
PubChem CID:	127277772
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	-156.33
Dipole, Da:	4.4
IP(EA), eV:	-9.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-pyridazin-3-ylpiperazine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)CC3CCCCC3

DOS

IR

Vibrations