Geometry & MOs

Info

ID:	7332
PubChem CID:	72175
Reduced:	ClNSO2C20H36 (1)
Stoich.:	ABCD2E20F36 (1)
Weight, g/mol:	389.215528
ΔH_f, kcal/mol:	-145.73
Dipole, Da:	2.08
IP(EA), eV:	-8.47(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCNCC(COC1=CC=C(C=C1)SC(C)C)O.Cl

DOS

IR

Vibrations