Geometry & MOs

Info

ID:	166857
PubChem CID:	74744983
Reduced:	OSN4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	477.163023
ΔH_f, kcal/mol:	57.67
Dipole, Da:	2.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.306269
Charge, e:	1

Chem-info

IUPAC name:

3-(2-methoxyethyl)-5-[[9-methyl-4-oxo-2-(3-propan-2-yloxypropylamino)-5H-pyrido[1,2-a]pyrimidin-5-ium-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1O)CN2C(=S)[NH+]3C=CC=CC3=N2

DOS

IR

Vibrations