Geometry & MOs

Info

ID:	165164
PubChem CID:	74509064
Reduced:	SO2N5C19H31 (1)
Stoich.:	AB2C5D19E31 (1)
Weight, g/mol:	412.238236
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	6.22
IP(EA), eV:	-8.88(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-methoxyethyl)-3-[1-oxo-4-(3-oxo-3-piperidin-1-ylpropyl)-2,3,4,5,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-5-ium-7-yl]thiourea

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCC2CNC(=O)C3N2CC(C3)NC(=S)NC4CC4

DOS

IR

Vibrations