Geometry & MOs

Info

ID:	249296
PubChem CID:	103088384
Reduced:	FNSCl2O3H10C13 (1)
Stoich.:	ABCD2E3F10G13 (1)
Weight, g/mol:	205.150036
ΔH_f, kcal/mol:	-129.07
Dipole, Da:	3.47
IP(EA), eV:	-9.32(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-methyl-N-(4-methylsulfanylbutyl)propan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)O)CNS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations