Geometry & MOs

Info

ID:	363656
PubChem CID:	127311757
Reduced:	SO2N4C17H30 (1)
Stoich.:	AB2C4D17E30 (1)
Weight, g/mol:	330.172562
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	3.98
IP(EA), eV:	-8.5(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methoxyacetyl)-N-(2-thiomorpholin-4-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCN(CC2)C(=O)NCCN3CCSCC3

DOS

IR

Vibrations