Geometry & MOs

Info

ID:	249267
PubChem CID:	103088196
Reduced:	FCl2N2O2S2C11H13 (1)
Stoich.:	AB2C2D2E2F11G13 (1)
Weight, g/mol:	241.130049
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	6.96
IP(EA), eV:	-8.82(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)C(=S)N

DOS

IR

Vibrations