Geometry & MOs

Info

ID:	166374
PubChem CID:	74678889
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	451.126243
ΔH_f, kcal/mol:	3.96
Dipole, Da:	4.23
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NN=C(N3C)N4CCOCC4

DOS

IR

Vibrations