Geometry & MOs

Info

ID:	282363
PubChem CID:	103923448
Reduced:	ClNOSC14H22 (1)
Stoich.:	ABCDE14F22 (1)
Weight, g/mol:	299.155515
ΔH_f, kcal/mol:	-56.1
Dipole, Da:	5.21
IP(EA), eV:	-8.66(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]-2-methylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CCC(CC)(CNCC1=C(C(=CC=C1)Cl)O)SC

DOS

IR

Vibrations