Geometry & MOs

Info

ID:	178300
PubChem CID:	76310012
Reduced:	ClN2S2O3H9C15 (1)
Stoich.:	AB2C2D3E9F15 (1)
Weight, g/mol:	286.023455
ΔH_f, kcal/mol:	-15.15
Dipole, Da:	4.44
IP(EA), eV:	-9.36(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-(4-methylphenyl)-2-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C(/C=C\2/C(=O)N(C(=S)S2)CC(=O)O)\C#N)Cl

DOS

IR

Vibrations