Geometry & MOs

Info

ID:	365597
PubChem CID:	127318204
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	382.240248
ΔH_f, kcal/mol:	-73.97
Dipole, Da:	3.77
IP(EA), eV:	-8.51(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-N-(thian-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)NCC2CCSCC2

DOS

IR

Vibrations