Geometry & MOs

Info

ID:	87009
PubChem CID:	49890479
Reduced:	NSO4H11C12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	343.051444
ΔH_f, kcal/mol:	-129.1
Dipole, Da:	4.1
IP(EA), eV:	-8.76(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)O)/C=C\2/C(=O)NC(=O)S2

DOS

IR

Vibrations