Geometry & MOs

Info

ID:	132617
PubChem CID:	51387141
Reduced:	NOS2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	298.935187
ΔH_f, kcal/mol:	53.22
Dipole, Da:	3.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755958
Charge, e:	-1

Chem-info

IUPAC name:

(5E)-5-[(4-chloro-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)/C=C/2\C(=NC(=S)S2)[O-]

DOS

IR

Vibrations