Geometry & MOs

Info

ID:	165667
PubChem CID:	74582659
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	520.101918
ΔH_f, kcal/mol:	-117.57
Dipole, Da:	7.03
IP(EA), eV:	-9.27(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-[[3-chloro-4-[2-(4-hexoxyphenoxy)ethoxy]-5-methoxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(C[NH3+])C(=O)[O-])O

DOS

IR

Vibrations