Geometry & MOs

Info

ID:	165647
PubChem CID:	74579869
Reduced:	SN3O4H18C24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	340.010211
ΔH_f, kcal/mol:	-16.57
Dipole, Da:	9.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.781624
Charge, e:	-1

Chem-info

IUPAC name:

5-[(4-benzoyloxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=C2N(C(=O)C(S2)CC(=O)NC3=CC=C(C=C3)C(=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations