Geometry & MOs

Info

ID:	356603
PubChem CID:	127291829
Reduced:	SN3O3C17H31 (1)
Stoich.:	AB3C3D17E31 (1)
Weight, g/mol:	340.211055
ΔH_f, kcal/mol:	-167.01
Dipole, Da:	3.37
IP(EA), eV:	-8.61(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]piperazine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)(CN1CCN(CC1)C(=O)CSCC(=O)N2CCCCC2)O

DOS

IR

Vibrations