Geometry & MOs

Info

ID:	166572
PubChem CID:	74711224
Reduced:	NO5C24H31 (1)
Stoich.:	AB5C24D31 (1)
Weight, g/mol:	378.04699
ΔH_f, kcal/mol:	-181.33
Dipole, Da:	2.92
IP(EA), eV:	-8.67(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CCCOC)OC4CCCCC4C3=O

DOS

IR

Vibrations