Geometry & MOs

Info

ID:	193436
PubChem CID:	78395088
Reduced:	SO2N5C14H24 (1)
Stoich.:	AB2C5D14E24 (1)
Weight, g/mol:	353.143607
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	17.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.772447
Charge, e:	1

Chem-info

IUPAC name:

5-[(6-methyl-2-piperidin-1-ylquinolin-1-ium-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CNN2CC[NH+](CC2)C)C(=O)NC1=S

DOS

IR

Vibrations