Geometry & MOs

Info

ID:	272592
PubChem CID:	103749650
Reduced:	FSO2N4C11H11 (1)
Stoich.:	ABC2D4E11F11 (1)
Weight, g/mol:	256.113316
ΔH_f, kcal/mol:	-29.55
Dipole, Da:	6.04
IP(EA), eV:	-9.17(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(2-methylbutylsulfanyl)ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)CSC2=NN=CN2N)F

DOS

IR

Vibrations