Geometry & MOs

Info

ID:	348946
PubChem CID:	127274671
Reduced:	SN3O3C14H25 (1)
Stoich.:	AB3C3D14E25 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	2.3
IP(EA), eV:	-9.08(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-2-one

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NCCN2CCOCC2

DOS

IR

Vibrations