Geometry & MOs

Info

ID:	195188
PubChem CID:	78652686
Reduced:	N2S2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	387.08371
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	5.1
IP(EA), eV:	-8.48(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[5-[(7-ethyl-1H-indol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CN=CC=C3)OCC

DOS

IR

Vibrations