Geometry & MOs

Info

ID:	89985
PubChem CID:	49965741
Reduced:	S2N4O4H12C17 (1)
Stoich.:	A2B4C4D12E17 (1)
Weight, g/mol:	521.314123
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	3.54
IP(EA), eV:	-9.13(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5E)-3,5-bis[(3-ethoxy-4-propoxyphenyl)methylidene]-1-propylpiperidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N

DOS

IR

Vibrations