Geometry & MOs

Info

ID:	173731
PubChem CID:	75675198
Reduced:	SN3O5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	385.031674
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	6.9
IP(EA), eV:	-9.37(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)SC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-])O

DOS

IR

Vibrations