Geometry & MOs

Info

ID:	364183
PubChem CID:	127314481
Reduced:	S2O3N4C15H28 (1)
Stoich.:	A2B3C4D15E28 (1)
Weight, g/mol:	285.151098
ΔH_f, kcal/mol:	-131.52
Dipole, Da:	6.57
IP(EA), eV:	-8.41(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-[4-(thiane-4-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)S(=O)(=O)N2CCN(CC2)C(=O)C3CCSCC3

DOS

IR

Vibrations