Geometry & MOs

Info

ID:	249329
PubChem CID:	103088639
Reduced:	FNSCl2O3C13H16 (1)
Stoich.:	ABCD2E3F13G16 (1)
Weight, g/mol:	232.160935
ΔH_f, kcal/mol:	-172.6
Dipole, Da:	3.75
IP(EA), eV:	-9.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylmorpholin-4-yl)-5-methylsulfanylpentan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)(CNS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl)CO

DOS

IR

Vibrations