Geometry & MOs

Info

ID:	235153
PubChem CID:	92304138
Reduced:	N2O2C27H28 (1)
Stoich.:	A2B2C27D28 (1)
Weight, g/mol:	329.054421
ΔH_f, kcal/mol:	-21.36
Dipole, Da:	3.14
IP(EA), eV:	-8.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(2-ethylphenyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)[C@H]2C3=C(CC(CC3=O)(C)C)C4=C(N2)C=CC5=C4C=CC=N5

DOS

IR

Vibrations