Geometry & MOs

Info

ID:	192266
PubChem CID:	78250446
Reduced:	OSN4C27H30 (1)
Stoich.:	ABC4D27E30 (1)
Weight, g/mol:	417.021503
ΔH_f, kcal/mol:	49.45
Dipole, Da:	4.98
IP(EA), eV:	-8.55(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoate

Drug info:

PubChemData

Smile

CCSC1=NNC2N1C3=C(C(=O)N2CC4=CC=CC=C4)C5(CCCCC5)CC6=CC=CC=C63

DOS

IR

Vibrations