Geometry & MOs

Info

ID:	312303
PubChem CID:	126604179
Reduced:	FSH3O3C5 (2)
Stoich.:	ABC3D3E5 (2)
Weight, g/mol:	295.186912
ΔH_f, kcal/mol:	-286.37
Dipole, Da:	2.57
IP(EA), eV:	-9.21(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

trimethyl-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=C2OS(=O)(=O)F)OS(=O)(=O)F

DOS

IR

Vibrations