Geometry & MOs

Info

ID:	166698
PubChem CID:	74723237
Reduced:	OSN3C18H26 (1)
Stoich.:	ABC3D18E26 (1)
Weight, g/mol:	407.932266
ΔH_f, kcal/mol:	12.86
Dipole, Da:	13.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753621
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC=CC=C2)SCCC[NH+](C)C)C(C)O

DOS

IR

Vibrations