Geometry & MOs

Info

ID:	210
PubChem CID:	2317
Reduced:	OSN2C16H27 (2)
Stoich.:	ABC2D16E27 (2)
Weight, g/mol:	590.368819
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	3.39
IP(EA), eV:	-8.62(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(2-methoxyphenyl)methyl]-N-[2-[2-[6-[(2-methoxyphenyl)methylamino]hexylamino]ethyldisulfanyl]ethyl]hexane-1,6-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCCCCCCNCCSSCCNCCCCCCNCC2=CC=CC=C2OC

DOS

IR

Vibrations