Geometry & MOs

Info

ID:	284898
PubChem CID:	104081113
Reduced:	INSO2C6H14 (1)
Stoich.:	ABCD2E6F14 (1)
Weight, g/mol:	291.02925
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	2.87
IP(EA), eV:	-9.89(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromofuran-2-yl)ethyl]-3-ethylsulfanylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)NCCI

DOS

IR

Vibrations