Geometry & MOs

Info

ID:	379461
PubChem CID:	134433960
Reduced:	SO2C8H14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	457.01811
ΔH_f, kcal/mol:	-106.97
Dipole, Da:	2.71
IP(EA), eV:	-8.66(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-1-(4-fluorophenyl)sulfinyl-N-(2-methylsulfanyloxyethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

CC1(CCSCC1)C(=O)OC

DOS

IR

Vibrations