Geometry & MOs

Info

ID:	351512
PubChem CID:	127280400
Reduced:	SO2N6C18H24 (1)
Stoich.:	AB2C6D18E24 (1)
Weight, g/mol:	372.183127
ΔH_f, kcal/mol:	-6.11
Dipole, Da:	3.67
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CS2)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations