Geometry & MOs

Info

ID:	347667
PubChem CID:	127272533
Reduced:	NOSC9H19 (1)
Stoich.:	ABCD9E19 (1)
Weight, g/mol:	359.187878
ΔH_f, kcal/mol:	-59.27
Dipole, Da:	1.3
IP(EA), eV:	-8.6(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CCSC

DOS

IR

Vibrations