Geometry & MOs

Info

ID:	349031
PubChem CID:	127274757
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	330.161329
ΔH_f, kcal/mol:	-131.54
Dipole, Da:	6.01
IP(EA), eV:	-9.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-1-[4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCCC(C2)C(=O)NCC3CC3

DOS

IR

Vibrations