Geometry & MOs

Info

ID:	295559
PubChem CID:	117534048
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	207.0354
ΔH_f, kcal/mol:	-39.86
Dipole, Da:	4.14
IP(EA), eV:	-8.57(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(furan-2-yl)-2-methyl-1,3-thiazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CN=C(C1=CC2=C(C=C1)OCCCO2)SC

DOS

IR

Vibrations