Geometry & MOs

Info

ID:	148955
PubChem CID:	53788625
Reduced:	BrOC21H33 (1)
Stoich.:	ABC21D33 (1)
Weight, g/mol:	540.393399
ΔH_f, kcal/mol:	-56.53
Dipole, Da:	1.68
IP(EA), eV:	-8.72(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hexadecyl-bis(3-hydroxypropyl)-(5-hydroxy-5-sulfooxypentyl)azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC=CC1=CC=CC=C1OCCBr

DOS

IR

Vibrations