Geometry & MOs

Info

ID:	166601
PubChem CID:	74714316
Reduced:	SO3N5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	499.099754
ΔH_f, kcal/mol:	-67.8
Dipole, Da:	5.09
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CCCC(=O)NCCSCC3=CC=CC=C3

DOS

IR

Vibrations