Geometry & MOs

Info

ID:	13909
PubChem CID:	399852
Reduced:	NO2S2H19C25 (1)
Stoich.:	AB2C2D19E25 (1)
Weight, g/mol:	429.085721
ΔH_f, kcal/mol:	44.15
Dipole, Da:	3.14
IP(EA), eV:	-8.05(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)ethenyl]-4-phenoxathiin-2-yl-1,3-thiazole

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=CC2=NC(=CS2)C3=CC4=C(C=C3)OC5=CC=CC=C5S4

DOS

IR

Vibrations