Geometry & MOs

Info

ID:	173458
PubChem CID:	75640612
Reduced:	N3O3S3H8C15 (1)
Stoich.:	A3B3C3D8E15 (1)
Weight, g/mol:	386.993181
ΔH_f, kcal/mol:	107.45
Dipole, Da:	6.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756613
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)SC2=C(C=C(C=C2)C=C3C(=NC(=S)S3)[O-])[N+](=O)[O-]

DOS

IR

Vibrations