Geometry & MOs

Info

ID:	165308
PubChem CID:	74530026
Reduced:	N2S2O5C20H24 (1)
Stoich.:	A2B2C5D20E24 (1)
Weight, g/mol:	396.077993
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	5.12
IP(EA), eV:	-9.4(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[[5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]amino]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCCCCCCCCC(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations