Geometry & MOs

Info

ID:	327349
PubChem CID:	126689641
Reduced:	SN2O5C22H46 (1)
Stoich.:	AB2C5D22E46 (1)
Weight, g/mol:	451.320569
ΔH_f, kcal/mol:	-283.26
Dipole, Da:	17.32
IP(EA), eV:	-9.7(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(dodecylamino)-5-oxopentyl]-(2-hydroxy-3-sulfopropyl)-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCCNC(=O)CCCC[N+](C)(C)CC(CS(=O)(=O)[O-])O

DOS

IR

Vibrations