Geometry & MOs

Info

ID:	124040
PubChem CID:	50870631
Reduced:	FO3N7C29H30 (1)
Stoich.:	AB3C7D29E30 (1)
Weight, g/mol:	498.0014
ΔH_f, kcal/mol:	-0.26
Dipole, Da:	3.17
IP(EA), eV:	-8.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(E)-[3-(3-nitrophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=N/NC2=NC(=NC(=N2)NC3=CC=CC=C3)N4CCOCC4)OCC5=CC=C(C=C5)F

DOS

IR

Vibrations