Geometry & MOs

Info

ID:	268044
PubChem CID:	103597545
Reduced:	ON2S2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	343.044919
ΔH_f, kcal/mol:	52.97
Dipole, Da:	3.32
IP(EA), eV:	-8.6(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylsulfanylpyridin-4-yl)-4-(4-nitrophenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=CSC(=N2)C3=CC(=NC=C3)SC

DOS

IR

Vibrations