Geometry & MOs

Info

ID:	53019
PubChem CID:	14709408
Reduced:	S2O3N4H12C13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	350.050733
ΔH_f, kcal/mol:	-15.47
Dipole, Da:	3.58
IP(EA), eV:	-9.31(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-1-amino-2-[5-[(4-methylphenyl)diazenyl]-4-oxo-1,3-thiazol-2-yl]ethenyl]sulfanylacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=NC2C(=O)N=C(S2)/C=C(\N)/SCC(=O)O

DOS

IR

Vibrations