Geometry & MOs

Info

ID:	233921
PubChem CID:	92192459
Reduced:	N3O4H21C25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	398.214033
ΔH_f, kcal/mol:	-31.45
Dipole, Da:	3.41
IP(EA), eV:	-8.99(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-benzylidene-3-(piperidin-1-ylmethyl)-2-(piperidin-1-ylmethylimino)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)N/N=C/2\C(=CC3=CC=CC=C3O2)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations