Geometry & MOs

Info

ID:	45037
PubChem CID:	10507432
Reduced:	SO3C16H17 (2)
Stoich.:	AB3C16D17 (2)
Weight, g/mol:	498.525005
ΔH_f, kcal/mol:	-128.02
Dipole, Da:	10.88
IP(EA), eV:	-7.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

bis(15-hydroxypentadecyl)-dimethylazanium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CO[C@H](CS(=O)C2=CC=CC=C2)[C@H]([C@@H]([C@@H](CS(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O)O

DOS

IR

Vibrations