Geometry & MOs

Info

ID:	349071
PubChem CID:	127274797
Reduced:	S2N3O4C16H27 (1)
Stoich.:	A2B3C4D16E27 (1)
Weight, g/mol:	376.14905
ΔH_f, kcal/mol:	-178.3
Dipole, Da:	6.18
IP(EA), eV:	-9.13(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations