Geometry & MOs

Info

ID:	165670
PubChem CID:	74582675
Reduced:	ClNS2O4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	486.14089
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	6.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755979
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)Cl)C=C3C(=NC(=S)S3)[O-]

DOS

IR

Vibrations