Geometry & MOs

Info

ID:	336256
PubChem CID:	127255263
Reduced:	SN3O5C13H21 (1)
Stoich.:	AB3C5D13E21 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-183.0
Dipole, Da:	9.6
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-methoxyphenyl)piperazin-1-yl]-5-(3-oxopiperazin-1-yl)pentane-1,5-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1C)OCC(=O)NCCS(=O)(=O)N(C)C

DOS

IR

Vibrations