Geometry & MOs

Info

ID:	166573
PubChem CID:	74711225
Reduced:	NS2O5H16C17 (1)
Stoich.:	AB2C5D16E17 (1)
Weight, g/mol:	350.052075
ΔH_f, kcal/mol:	-150.69
Dipole, Da:	4.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124634
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC(C(=O)[O-])N1C(=O)C(=CC2=CC=C(C=C2)C(=O)OC)SC1=S

DOS

IR

Vibrations