Geometry & MOs

Info

ID:	207803
PubChem CID:	80451587
Reduced:	FSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-162.38
Dipole, Da:	4.33
IP(EA), eV:	-10.24(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(2-methoxyphenyl)sulfanyl-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCC(C)C(=O)CS(=O)(=O)C1=CC=CC=C1F

DOS

IR

Vibrations