Geometry & MOs

Info

ID:	172084
PubChem CID:	75464417
Reduced:	SN3O4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	402.136176
ΔH_f, kcal/mol:	0.65
Dipole, Da:	3.55
IP(EA), eV:	-8.68(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-butyl-5-[[2-(3-hydroxypropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN3C(=O)/C(=C\C4=CC(=C(C=C4)OCC=C)OC)/SC3=N2

DOS

IR

Vibrations