Geometry & MOs

Info

ID:	327363
PubChem CID:	126689689
Reduced:	NO4C20H39 (1)
Stoich.:	AB4C20D39 (1)
Weight, g/mol:	521.398819
ΔH_f, kcal/mol:	-229.55
Dipole, Da:	10.66
IP(EA), eV:	-9.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-hydroxy-3-sulfopropyl)-dimethyl-[4-(octadecylamino)-4-oxobutyl]azanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)CCC[N+](C)(C)CC(=O)[O-]

DOS

IR

Vibrations