Geometry & MOs

Info

ID:	12935
PubChem CID:	218824
Reduced:	BrClOSN2C12H19 (2)
Stoich.:	ABCDE2F12G19 (2)
Weight, g/mol:	708.01595
ΔH_f, kcal/mol:	-71.83
Dipole, Da:	6.66
IP(EA), eV:	-8.56(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-bromopyridin-2-yl)oxy-N-[2-[2-[5-(3-bromopyridin-2-yl)oxypentylamino]ethyldisulfanyl]ethyl]pentan-1-amine;dihydrochloride

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)OCCCCCNCCSSCCNCCCCCOC2=C(C=CC=N2)Br)Br.Cl.Cl

DOS

IR

Vibrations