Geometry & MOs

Info

ID:	364247
PubChem CID:	127314551
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	299.166748
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	6.03
IP(EA), eV:	-8.29(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)C2CCSCC2

DOS

IR

Vibrations