Geometry & MOs

Info

ID:	356596
PubChem CID:	127291822
Reduced:	SN3O4C14H27 (1)
Stoich.:	AB3C4D14E27 (1)
Weight, g/mol:	311.184506
ΔH_f, kcal/mol:	-190.47
Dipole, Da:	4.18
IP(EA), eV:	-8.78(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(2-hydroxybutyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C(=O)CCN2CCCS2(=O)=O)O

DOS

IR

Vibrations