Geometry & MOs

Info

ID:	221988
PubChem CID:	85293213
Reduced:	SN2F3O4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	441.199882
ΔH_f, kcal/mol:	-257.66
Dipole, Da:	5.13
IP(EA), eV:	-9.42(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetamido-3,4-diacetyloxy-6-(cyclohexanecarbonyl)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2C(C3=CC=CC=C3N2S(=O)(=O)C(F)(F)F)(C4=CC=CC=C4)O

DOS

IR

Vibrations