Geometry & MOs

Info

ID:	249271
PubChem CID:	103088222
Reduced:	FNSCl2O3C13H14 (1)
Stoich.:	ABCD2E3F13G14 (1)
Weight, g/mol:	257.100499
ΔH_f, kcal/mol:	-165.8
Dipole, Da:	2.82
IP(EA), eV:	-9.94(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2-chlorophenyl)ethyl]-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

CC(=O)CC1CCCN1S(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations