Geometry & MOs

Info

ID:	269552
PubChem CID:	103617934
Reduced:	SN2C11H14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	288.056863
ΔH_f, kcal/mol:	40.88
Dipole, Da:	3.71
IP(EA), eV:	-8.94(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(4-cyanopyridin-2-yl)sulfanylethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)CCSC1=NC=CC(=C1)C#N

DOS

IR

Vibrations