Geometry & MOs

Info

ID:	232932
PubChem CID:	87577737
Reduced:	SF3H5O5C8 (1)
Stoich.:	AB3C5D5E8 (1)
Weight, g/mol:	272.29534
ΔH_f, kcal/mol:	-315.95
Dipole, Da:	7.08
IP(EA), eV:	-10.64(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxyethyl-dimethyl-(2-pentyloctyl)azanium

Drug info:

PubChemData

Smile

C1C=CC=C(C1=O)C(=O)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations