Geometry & MOs

Info

ID:	145021
PubChem CID:	53448988
Reduced:	N2O3C26H26 (1)
Stoich.:	A2B3C26D26 (1)
Weight, g/mol:	256.010211
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	2.53
IP(EA), eV:	-8.38(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(5-but-2-enylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C2N3C(C=C(N3)C4=CC=CC=C4)C5=C(O2)C=CC(=C5)OC

DOS

IR

Vibrations