Geometry & MOs

Info

ID:	217841
PubChem CID:	85088478
Reduced:	F3N3O5C17H22 (1)
Stoich.:	A3B3C5D17E22 (1)
Weight, g/mol:	405.109352
ΔH_f, kcal/mol:	-372.91
Dipole, Da:	5.92
IP(EA), eV:	-9.46(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-(ethanethioylamino)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCN1C(C(C(C(C1=O)O)O)O)CNC(=O)NC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations