Geometry & MOs

Info

ID:	275419
PubChem CID:	103815851
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	260.155849
ΔH_f, kcal/mol:	-98.79
Dipole, Da:	4.43
IP(EA), eV:	-9.07(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thian-4-amine

Drug info:

PubChemData

Smile

C1CC(CNC1)CN2CCCS(=O)(=O)CC2

DOS

IR

Vibrations