Geometry & MOs

Info

ID:	313453
PubChem CID:	126614813
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	880.536398
ΔH_f, kcal/mol:	-148.67
Dipole, Da:	4.43
IP(EA), eV:	-8.46(1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[6-[bis[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]hexyl-[2-hydroxy-3-(3-sulfopropoxy)propyl]amino]-2-hydroxypropoxy]propane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCC(CC)COC1C/C(=C\O)/OC1

DOS

IR

Vibrations