Geometry & MOs

Info

ID:	282361
PubChem CID:	103923432
Reduced:	NO2S2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	285.139865
ΔH_f, kcal/mol:	-70.51
Dipole, Da:	2.82
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)CC1=CC=C(S1)CNC2CCSC2

DOS

IR

Vibrations